CDN THE ROLE OF TWO-PHONON PROCESSES IN THE ENERGY RELAXATICDN OF A HEATED ELECTRON DESTREBUTION Thesis for Hm Degree of Ph. D. MKHIGAN STATE UNIVERSITY Geraitfi P. Aildma’ge 191615 LIBRARY Michigan State University all“ This is to certify that the thesis entitled On the Role of Two-Phonon Processes in the Energy Relaxation of a Heated Electron Distribution presented by Gerald P. Alldredge has been accepted towards fulfillment of the requirements for —P)_h.'_.ll'._ degree in- Phys ic S I a \ ) (‘Ll{ - Major professor Date 2/28/66 0-169 F” THE POLE ”F TWO-PHUTQH PROCESSES 1? TH; TVF"GY PTLRXRTI“H ?F F hCFTTU TLECTCOC DISTQITUTI‘I ld P. filldredne (I) Y‘ (D by E An investigation is rade of the role of multinle acoustical nhonon scatterinc of carriers as a mechanism contributing to increased efficiency of energy loss in "warm“ electron ohencnera. The method adopted comnares the single- and two-phonon contrihutions to power lost to a cold lattice by a warm Taxwellian distriLution of carriers. The model of electron-nhonon interaction develooed is a kind of rinid ion model, which for one—ohonon processes coincides with the usual standard single valley model for semiconductors. Two-shonon processes arising from first order and from second order perturbation theory are considered, and account is taken of their statistical interference. Expressions for the contribution to sewer loss from one-ononon processes and from the various kinds of two- Chonon orcczsses are develooed and reduced to cuadratures. Tae nuadratures are estimated numerically by random samnling (Monte Carlo) and by Gauss-Leoendre aonroximation. The estimates sugnest that the two-ononon orocesses involvino an intermediate state (second order oerturbation theory) dive a cover loss comnaratle to that of one-ohonon processes. The contributions to oo~er loss fror the two-phonon processes of first order perturbation theory and fror ?erald P. [lldredte the statistical interference between the two tvnes of two-nhonon nrocesses are insignificant. 7:1; "“LF :gF T"O-Pi" ‘- Ft‘L;'.x.”:.T1“=si F”°CFSCL" I“ TEL fN?”CV 1F fl anT"m FerTooq ISTQIEUTIOS bv J ” {lldredoe . V Gerald P.” n l TPESI? Sutmitted to iichigan State University in nartial fulfillment of tke resuirements for the denree of DOCT07 CF DHlLaST7FY l f. KC) \JV DE”artment of Physics and fistronony {CKJQVLELGEMT‘TS I wish to thank Professor F. J. ilatt for suhnestino this research rroblem and for his encouraoewent and stimulatino discus- sion durino the course of the work. This work was suoaorted in oart by the U.S. Air Force Office of Scientific Research and in part by a HSF Cooperative Graduate Fellowshio. I also wish to acknowledoe the assistance of the Vichioan State University Comruter Center. ii TELLE 5F C77TEETC CHAPTEP I. IETR33UCTICT . . . . . . . . . . . . . . II. PCELI I WPV iEflARKS “T T"C-PH ECU fiVOCESSES . . . . . . . . . . . . . . . . III. Ti; STRTICTICfiL VIE FCI T n“; TV? C“ITE“ICH F”R IVPlfTA CE CF TU“-PV”N“N TCAVVITIOVS. IV. DEViLfidegT OF THE “UE- 5V9 TVT-?L Hit IVTCFACTlfld “VFVATODS . . . . . . . . . . V. TCTAL CL CTPQNIC TRLFSITI?T ”CTES DUE To wC-“HTTST TPfihSITIO S . . . . . . . . . VI. ThE T U-PM nor P“ EC LCSSES--“E$ULTS END CSNCLUSIQJ . . . . . . . . . . . . . . . IPCEIDIX 3. )4 THE CUESTIfi CF VIRTUAL PQSCFSSES IV n-PHCgJH OPEQXTQES . . . . . . . . . . . C. TCF”SFOQ¥ATIOJ TC PPOLFTE SDHECOIUfiL C. WUTERICWL ESTligTIOH CF TFE FUADCATUPES . . Listino of rtroorarr SSPOUEU . . . . . . . Listing of Prooram GLDIFF4 . . . . . . . ll l7 58 (O 6‘) J FICURE LIST OF FIGU?ES Final state surfaces for the electronic transi- tion % + - é via one-phonon processes . . . . k ’L Schematic representation of tVe natrix elements (I) (2) Ufi and Ufi amplitudes Kfi derived from them . . . . . . . and the second order transition Rectangular and spherical coordinates for description of the two-phonon geometry . . . . Lines of resonance, V and 9+, for the contrac- 1 tion over phonon degrees of freedom in tne . . c tranSition rate w . . . . . . . . . . . . . . iv 67 7l l . IriTECDUCTI if Conduction electrons in bulk semiconductors mav, by the use cf high electric fields, be driven into statistical distributions that differ appreciably from the ecuilibrium distribution. This is 1,2,3 the inference drawn from the various "hot electron' phenomena which have been investigated since the initial vork of Ryder and 4’5’6 The term "hot electron" indicates that in such Shockley. situations the conduction electrons aceuire an average energy-- temperature, in a sense-—which is significantlv greater than that obtaining when in the absence of the external field the carriers are in thermodynamic eouilibrium with the lattice. Among the hot electron phenomena are broadening of cyclotron resonance lines,7 enhanced electronic noise,8 and hot electron thermoelectric power,9 but foremost of the hot electron effects are the deviations from 0hm's law even at moderate fields. Ryder/l"6 found for fairly pure n-type germanium that the characteristic curve of current versus applied electric field began deviating markedly from linearity at a field of about 500 V/cm, and there- after to a field of about 3000 V/cm the curve could be approximated by a mobility propertional to the reciprocal of the snuare root of the field; at the upper field, the current saturated. The term ”hot electron" is often restricted to refer to the range of applied fields in which occur such major deviations from Chm's law as observed in Vyder's initial experiments. Then the term ”warm l ‘ u . ' " ' A»! "V‘ ' -- -:. l '.' '1‘ " ', rlcctron 15 use» t r {CF to The lever ranwe s” f el.s en -hrc ~- v'- (TIT; A .\ {a :n- Am ~'0,' r ‘ ,4,~.1 " Sfdll, bua a-: - t "J.u+ '2C ~.c s‘ ,, . a xa.,.h f 1r the lgtt r, 'unr ‘ invised a sensitive exc.rir it to neasure small I deviaci'ns fr:n rm's law at or fields; to fiu d that the mo'ilit” u “f n-‘e cculi '3 clos’lw fifte' h" the cuadritic drviaticr f rnpli ‘ l ) (I) from C to a‘out l7 V/cn. Tn Ec. (l), ”o is the zero field mo'ilitv, F is the applied field, and 8 is a constant fnupd to ie -2.? -r 7 -9 x l0 ‘ cm“V “ for lattice scattering at lattice temperature TL = 90°K. In the regime of very shall electric fielfs, the main interect is in the morentum exchange tetween carriers ard lattice, and the cuestion of energy exchange is not as important--eneroy eouilitriur can he assumed between carriers and lattice. But as the electric field increases, carriers of (lattice) thermal energies may ac uire from the field much higher energies before they can mate a colli- sion Hith the lattice. The steadv state statistical distribution of the carriers t'en begins to differ from thermal ecuilibrium With the lattice, and one mav expect that the macroscopic response to the external field will be essentially different from the small field resnonse. The onset of such field dependent phenomena should occur when the mechanisms of energy exchange can no lcnger maintain a thermal energy eouilibrium between carriers and lattice. For this reason, theoretical approaches to the hot electron problem have been concerned esneciallv wit” rechanisns by which carriers exchange energv with the lattice. 3 This r“aner is concerned Jith estinotinn the importance, as energy loss Mechanisms for heated electrons, of transitions ll .. , Te swall concen- involving two acoustical ohonons at a tire. trate on the regime of warm electrons in a cold lattice, since it is here that energy loss mechanisms comnarable to transitions involving single acoustical ohonons will be significant. it higher electric fields and higher lattice temperatures there is sufficient evidence that the optical nhonons--in one-ononon transi- tions--are dominant.]2’]3 The remainder of this oaoer is divided into five maior sections as follows: Chapter II contains a orelirinary discussion of the nuestion wzy tvo-phonon transitions may be imeortant in energy loss. In Chapter III we discuss the viewnoint adopted toward the orohlem of the statistical distritution of electrons, and we state our criterion for judnino the imoortance of two-rhonon transitions as energy loss mechanisms. Chapter IV is devoted to developing a model for one- and two-phonon interaction terms in the hamil- tonian, which is then anelied in Chapter V to the oroblem of calculating one- and two-phonon contributions to the electronic transition rate. In Chapter VI expressions for the electronic energy loss rates Ly one- and two-ohonon nrocesses are obtained, and numerical estimates of heir values over a range of electronic temoeratures are oresented. II. 9RFLI“I‘“PY “*”APKS of T““-Eh‘““” “PiffSSES Shockley's initial theory4’5, utilizing only one-phonon colli- sions to interpret Pyder's data4’6, contained a hint that a correct explanation of high field phenomena may reouire more careful atten- tion to the energy loss aspect of the physical processes of con— ductivity theory. Shoctley's result for the high field region-- based on predominant optical phonon collisions-—gave good agree- ment with the saturated-current part of Pyder's curves. However, his results for the intermediate-field region ioining the more or less ohmic part at low fields to the high-field saturated current “ere not in ouantitative agreement with experiment. thably, the intermediate-field theory could be fitted to the experimental curves only by assuming the velocity of sound in the crystal to be 3.2 times greater than the actual velocity of sound. Since the velocity of sound 5 enters the theory only in the energy, hwh = hos, of the acoustical phonons that scatter electrons, the discrepancy suggests that the energy loss of electrons in this region is due to mechanisms that are three times more efficient in energy exchange than the usual single acoustical phonon collisions. This inadequacy of the one-phonon theory is further suggested l0 by the small deviation from Fhm's law found by Gunn in the low field region [[o. (l)]: no = no (1+ o2) Cunn's neasuroments fitted an equation of this form over a field range of O to lC ”/cm. at 90°K for n-tyoc Ce in whic' lattice scattering overshadowed ionized imnurity scattering; hU“QVCF, -5. 9 _’3 the fit of data required P = —2.? x l? ” cmL V L ‘ :I (:19? “EXT-t ’ ‘z'her\. xi} I. b l :is theory based on single acoustical phonon collisions nrtoicted r) — -4 s d . .. . ,. -2.8 x l0 cm V . That 15, the theory preoicted a dev12ti“n i}: II ‘\I D from anm 5 law that was l0 times greater than was found by experi- ment. Stratton12 added to the theory the energy loss due to excita- tion of single optical phonons hy the hot electrons. He found that although in the low-field region the number of electrons having energies high enough to excite optical p“onons is ouite small with respect to the total numter,-nevertheless these electrors could lose such large fractions of their energy that they contribu— ted greatly to the total energy loss. Stratton thus removed most of the discrepancy between theory and experiment. However, shall discrepancies remained12, and it should be useful to examine further energy loss mechanisms. The energy soectrum of the longitudinal acoustical branch of Ge contains ohonons of energies as high 300°K. However, the selection rules for one-phonon collisions prevent the more energetic acoustical nhonons from scattering electrons. In the simple effective mass model for the electrons and bebye model for the -. .— phonons that ye shall adopt here, the transition, £¥==é;==£; with emission (a = +l) or absorption (a = -l) of an acoustical phonon of wave vector o and energy hon = KS n, is governed by the follow- 6 ino selection rules of conservation ef energy and wave vector: 1. ._. la _ c. a; (a, 5) T “Q, (._) 2 ,2 M 2 h [I 2 I aa— m'tt! Ht“ (3) These may be combined to give tge e=urgion cf the final state surface in t-snace: where u = cosine of angle betyeen h and . k S m*s/h ( 01 V wave vector of electron movino at Steed of sound. The ouantity k, is very small comoared to most electron wave 3 5 l vectors (for n-tvae Ge with s = 5.4 x l0 cm -sec' and m* = O.l2 me, kS corres ends to a tenterature of O.ll5 deg K). In most studies of mCEility, the scattering of the carriers by acoustical rhonons is assumed to be elastic, “hich amounts te neglecting the term invdlvinn Rs in Ed. (4). Eouation (4) defines two surfaces in k-seace on which final electron states lie (Fig. 1). For phonon enission (a = +l), the final electron state lies on the surface M, inside the constant energy S"here I of the initial state, whereas for absorption (a = -l) the final state lies on the surface A, outside. For erission of an acoustical ohonon, the greatest ”ave vector transfer, 5, has magnitude K = 2(k - ks)’ corresoonding to an energy loss of th = 2hs (k - ks) . (5) Fig. l. Final state surfaces for the electronic transition h + k - g yja_one-nhonon processes. Surface I is the initial electron energy surface, M is the final stite surface for oh n;: emission, and A is the final state surface for phonon absor“ti n. The shaded volume (of radius k = ks) corresponds to “cold electron" initial states. If the electrons have a temperature of lOO°K, the average wave , - 6 '1 . .- . ' .. u . . L vector 18 k m l0 Ch , lhlch 13 only a-cut one per cent of toe radius of the “rillcuin zone; thus the maximum energy loss (on a temperature scale) suffered by a tynical electron at this temcer- ature is only aLout 4 deg K, i.e., only 4% of its initial energy! 0n the other hand, if the electron is scattered by two acoustical ohonons at once, the selection rules read: t = (t ' 5) + O‘+r€3+ + a_g_ (7) n2 2 "AZ . 2 , a W )1 '-' 2-HT; (")3 " ()6) + ”5(O.+Q+ + 0-5)“) (V) w ere a: = l signifies emission of the C: :nonon and ai = -l signifies absorption. The additional phonon adds extra degrees of freedom so that the final electron states are no longer con- strained to lie on the surfaces A and V of Fig. l. By simple manipulations of the rules of Tos. (7) - (8) one may show that for two-oh+-on absornticn the volume of h-snace outside the sur- face f is available to final states. For one ohonon absorbed and one emitted the final states are confined to the volure tet een surfaces f and H. For the case that orimarily interests us, that of two-chanon emission, most of the volume interior to the surface i is available to final states, so that acoustical phonons having energies greater than those permitted in one-oaonon transitions may particioate in scattering of electrons. This may be seen by corbinino the relaticrs Wl til $2 - §E;-K(K — 2ku) = 58(g+ + C_) to give the inevuality Kifiw-kg, W) where eguality holds when lo + o | = g + 0 . m+ m- + _ From Ed. (9) and the natural bound on the cosine u there follow the ineoualities l_>_ p _>_ kS/ff. (10) which imnly that there can be no thonon emission for k < kg. (The resemblance of this emission threshold condition to the “Cold neutron" scattering threshold has been oointed out by Seitz;M it also reselees the threshold condition for Cerenkov radiation, the oheton emission by fast electrons passing through condensed hatter.) Furthermore, from EC. (9) we see that the electron may lose all its momentum and energy (§_= 5) only then klm; NH 5 Since at the electron temneratures that interest us, most electrons have wave vectors considerably larger than ts, we then conclude that in tug-nhonon emission the selection rules oermit electronic transitions having enormous energy loss as comnared to energy loss in one-phonon transition. This license for large energy loss must he bought at a high orice; we should excect that the rate of occurrence of tro-ahdnen transitions will be much less than that of one-ohonon transitions l0 for the follbwin reasons. Eve: one—phonon transitions core about only through : slibht failure of electrons in the conduction band to follow adiabatically the heavy ions in their therral notions; this failure gives rise to an electron—nhonon interaction energy that is linear in lattice distortion. “no source of tuo-nhonon transitions is an electron-lattice vibration interaction bilinear in lattice distortion; if this were comnarable to the linear inter- action, it would indicate an unexpectedly severe failure of the adiabatic orinciple. The other source of two-ohonon transitions aooears in second order of oerturbation theory; this should not be comoarable to the first order one-thonon transitions if berturbation theory works, as it seems to for low field mobility. Finally, the two kinds of two-rhonon transitions are coherent. It will be shown that this leads to destructive interference between the two kinds of two-phonon orocesses, although in our motel this inter- ference is not so strong as to give the almOSt comolete cancellation sneculated by herring.1S The task is then to see how the balance is struck between the two ooposed ororensities of two-phonon orocesses: low nrobability of occurence of such collisions versus possibility of larne energy loss in each such collision. is irolied above, ye assure a Sim/l: oarabolic band centered at k = 0. le describe the acoustical modes of lattice vibration in the framework of the simele Debye nodel. “e concentrate on the regime in which two-phonon orocesses should be most important--that of a cold lattice and only warm electrons; conseouently, we ignore ontical nodes. 111. TV? STPTISTICAL VIEHFlI T [ks TL? CFITEFIPI FUR IflF“PT/NCE FF TUO-FHC C” TFF;SITIOVS Before taking up the develeoment of the interaction energy ooerators (see Charter IV), we discuss the statistical hnsatz which disooses of the r-roblem of obtaining the distribution function for the carriers. This chatter concludes with the statement of our criterion for judging the imoortance in energy loss via multirhcnon transitions. The most comolete, most satisfying method of attack on a transrort problem, of course, is to obtain the statistical distribu— tion by solving a kinetic eouation that includes all significant transition mechanisms as well as the driving fields. The resulting distribution function can then be used to calculate the macroscotic resoonse to the driving fields. The best work to date utilizing this approach to study the hot electron oroblem is that of Refer- ences l3 and l6. In these works the Boltzmann eouation, including acoustical and octical ohonon scattering (and intervalley scatter- ing where anorooriate), is solved. But only one-nhonon transitions are considered, and carrier-carrier scattering is neglected. In general, the well-known difficulties in solving the Boltzmann eouation are now aggravated since in the hot electron oroblem noneruilibrium must apoear explicitly. Thus, in our attemot to Study mechanisms with transition rates as corplicated as those of ll l2 the two-phonon processes, an aeoroach via solution of a kinetic eouation annears intractable. Instead, we assume, from the start, a simole distribution function as a working hypothesis. We assume that the part of the distribution function that is srherically svnmetric, fs, is a heated maxwellian distribution: fs(k) a. exo (-h2k2/2m*kBT) (12) where the electron temperature T, a function (unsnecified in this oaoer) of the arelied electric field, is generally greater than the temrerature of the lattice TL, and kg is Boltzmann's constant. This hot electron assumotion has been argued by Frohlich and 3) on . . l . . . l6 - Parangane for rather moderate carrier denSities (m l0 cm the basis that electron-electron collisions occur so much more freouently than electron-phonon collisions that the energy a rartic- ular electron gains from the electric field is thoroughly distrib- uted throughout the electron distribution before the electron can lose a significant fraction of that energy by a ohonon process. If 1:he efficiency in energy loss through the two-ohonon nrocesses cxynsidered here were of the same order of magnitude as that due to (Brie-phonon orocesses, the carrier density criterio of Frohlich arid Paranjaoe should remain valid on inclusion of two-nhonon colli- S‘ions. This justification of the hot maxwellian distribution nas b€3EH1 criticized, mainly on the grounds that it ignores the distor- tTKDn of the high energy tail of the distribution, where the elec- tr‘Ons have energies exceeding the threshold for excitation of an l3 ontical ohonon. When an electron can lose a very large fraction of its energy by the excitation of a single ontical nhonon, one can no longer argue that the energy an electron gains from the field will be randorized before it can te lost to the lattice. Cn the other hand, hot maxwellian distributions have been obtained by solving the Boltzmann eouation with electron-electron colli- 16 Furthermore, the carrier distribution sions comgletely ignored. function may be obtained as a hot maxwellian on the basis of a maximum entropy argument subject to the macroscooic constraint of p. stationary average energy. The maxwellian distribution seems to be remarkably independent of the details of a oarticular situation in which it is obtained, and for this reason the hot maxwellian has been chosen as a simole working hyoothesis. 'hen the electron distribution function is known, the never balance can he found as follows. The average energy of the distri- bution is E = ne = ne( 1. L(k)f(k) (l3) vvhere the last ecualitv follows on assuming that the energy func- ‘tion E(k) is soberically symmetric. here the distribution func- ‘tion f(k) is normalized to one narticle, and n8 is the number (iensity of carriers. The angular brackets will always be taken in 'ttiis never to mean the average over the (known) electron distribu- tlom <...> (gfo)r“) . no l4 In a steady-state, the energy [Ei. (l3)] is constant in time: d '7 - l/ ? 8f(k‘l — —~ 7: ne ‘t‘ ‘ i“’e J Pia; E(k) 7371' - (M) 53‘1”? _: 2 (at) . (2:) I 3" field c 1' (is) and (if z _ E‘ 8f at field W (17) fl— = dwvuuwwa> «ow+wn (r) at CF], mt ‘ ” a m ‘ ' 4 E e - ., Here w(¥+k') is the total transition rate for electronic transi- tion from state a to state k'- 3y means of an integration by narts, the field term of the rower eeuation [Eo. (l5)] may ;e written in the form - 3f .- l _ = n . "e I 9a, E(k) (at): e 1:. Xd (19) where the drift velocity v, is the average of the electron grouo velocitv: m /\ 8< 7s‘ \/ m Q) Q.) \_ \/ (2’?) ta The collision term of the power ecuation Cin be rewritten as ‘Follows: ' ' 3' .31: = n ' ' l’ la: + ' t: ' —'- ne j 9,, A...) (3 )CO1] lg, J g, f( l[ (k k ) (k) -u(k+!;')f(k)] = -ne < ,9,» e(l:,k')w(k+k')> (21) 15 where the electron energy loss in the transition k+£ is e(k,k') = E(k) - E(k') . (22) The power balance thus reads ”e fit-.1 = “e <( $32; E(k’k') "'"1att(r'i‘*’é')> ° (23) That is, the energy fed into the carrier distribution “v the field E is in turn fed by the carriers into the lattice as a net energy loss in collisions with lattice vibrations. Tnly he transition rate due to lattice vibration anpears in E0. (23), tecause in electron-electron scattering no energy is lost from the carrier distribution. He shall take as our criterion of the imoortance of two-ehonon processes the contribution that they mate to the right hand side of Eo. (23). The standard chosen will be the one-ehonon contribu- tion to EC. (23). In Chapter V we obtain a one-ohonon transition (1) (2) and a total two-phonon transition rate w . The two- (2) : wa + WC rate w phonon transition rate is the sum of three terms, w + wb, rhich are, resoectively, the contributions from two-jhonon transitions arising solely in first order eerturbation theory, from two-ohonon transitions arising solely from second order oerturbation theory, and from the interference arising from the coherence of the two kinds of transitions. The :0 er loss due to the one-phonon transitions is tien Pm = n. <( 9,; e(!<.,:¢'>w(” . (24) ’b 'b -rhe other nower loss contritutions are similarly defined. Ye then ledqe the imoortance of the various two-Phonon contributions by l6 their bower loss in coroarison to the one-ohonon oower loss. For (C)/¢(l) and conclude that (c)/,(1) << 1, examole, we shall calculate the ratio P c-tyne two-nhonon nrocesses are (i) insignificant if 9 mph)» (ii) overwhelning if F l, or (iii) noderately inrortant if P(C)/9(1)m l. Another irnortant statistical assunotion made in this eerer is the "cold lattice" assumption. Since we are nrinarilv interested in the low field, low (lattice) tennerature discrenancy between 10’13 we shall assune that ini- exneriment and one-ohoron theories, tial phonon occupation numbers are maintained effectively at zero. That is, we assume that rhonons ehitted by one carrier are absorbed by the heat bath before they can interact with another carrier. This re-interaction that we ignore seems cer- tain to be significant in semiconductors such as CdS which have biezoelectric coupling between carriers and :honons. In such materials, when the field is so high that the carrier drift velocity exceeds the sneed of sound, the re-interaction of rhonons with electrons arrears reshonsible for a current instability.19 This latter effect has not been found in atomic seniconductors such as germanium, either experimentally or theoretically,19 and in any case the drift velocity will not exceed the soeed of sound in the moderate field region. IV. CEVELC? T_T ’F TH‘ ”FE- ATU T”’- DH’V'" I’l’:’7'-‘”l"l”I’, “CinT to This chaater is devoted to develonirg a model f;r one- and twa-nhonon terms to the interaction Hariltanian. Ve first establish our nrtation. Te c ncentrate on acoustical vibraticr; by treating the structure as a r-‘ravais lattice described by direct lattice vectors % = 21%] + 2232 + e3é3 = (21,22,23). The 2i(i=l,2,3) are integers and the Q1 are the rrimitive translatian vectors defining a r‘rimitive unit cell of volume Qa = a] x tz'é3° The reciorocal lattice is defined by the vectors g = 61b] + GZRZ + G3b3 = (C],CZ,G3) where Qi = 2na5 x ak/Qa and the Si are integers. He shall have occasion to do Fourier analysis in a large volune Q (Q>>na) using the cyclic Sorn-von Varnan boundary condi- tions. The volume and sign conventions are fixed by the relations (2U) where the fine cloud of soints in wave vector snace is indicated Q“: by the vectors f = (QC/Q)(f]gi + fzbz + f3b3) = _:.( f 52 19 29f3)9 2, ...). This volume convention is chosen in I+ (f1.=o, :1, (erer that as g + m the f-sum goes over to an integral ’b l7 Lastly we note that the crystal delta function N . -i - ., Melsrl'gelf‘ ,N=0."‘2, , (737) m a t is zero unless i is ecual to one of the recinrocal lattice vectors g in which case it is ecual to unity. A convenient retre- sentation of a(f) is the sunerrosition of ordinary (three diwen- ), centered on the recinrocal (J sional) Kronecker delta functions 6(f,f lattice: ME) = Cur central interest is in the nuestign of whether acoustical two—ohonon transitions, for which the selection rules are much less restrictive in energy loss comeared to acoustical one-nhonon transitions, are nechanisms of aenreciable energy transfer conoared to acoustical one-nhonon transitions. Consecuently, we shall ignore many comnlications that arise in real -emiconductors, such as ontical nhonon interactions, intervallev scattering, anisotronic effective nass, traobing, and imourity scattering. “e assume a nrotgtyne material with a conduction band of standard form, whose effective carrier nass and sound velocity are anorexi- fnately eoual to those for germanium. The carriers are fircvided tN’ doning, but we shall inagine that the ionized donors are l9 sreared out into a uniform pcsitive bactoround. lhese carriers experience a self-consistent notential, arising vainly from their interaction with the neutral "ions" in t'e unit cells; we shall assume that this rotential can he written for a narticular carrier as a suneroosition of I‘ionic" notentials in the unit cells. There is a residual interaction between the carriers, but in good ideal- gas fashion it is never written down and makes its anoearance only in arguments about the nassage to eouilibrium in the carrier distribution function f(k). By the foregoing assumption, we have now reached a one—electron gicture in Which we shall continue the develogment. Let us now consider the nroblem of an electron in a deforned lattice. e write the Hamiltonian n2 :: L.— ,_D ’7 H HL + 2m + E V(}; mg) (1.9) where the first term, H is the lattice energy in the absence L’ of the electron, the second term is the kinetic energy of the electron and the last term is the potential energy of the electron in the field of the lattice. It should be noted that the last term can be wore general than the rigid-ion model of .‘lordheim,20 for the electron-ion ootential v(r-P£) may be treated as a functional of lattice deformation in addition to the exnlicit denendence on fig that is disolayed. However, we will not make use of this possible generalization. The next sten is to seoarate out of the electron-lattice notential that hart having the translational symmetry of the oerfect 20 crystalline lattice and thus giving rise to Bloch states. It is a standard result in solid state tVeorv that a function f({) having the translational symmetry of the lattice may be written as a Fourier series in which only the wave vectors of the recié— rocal lattice, g, annear: , -l iG-r at.) =2 f e . r» . <30) m . G .-,=0 g, ’b Conseouentlv, the periodic eart of the electrcn lattice inter- action may be obtained by oicking out from the Fourier series representation of the interaction all terms involving recinrocel lattice wave vectors. Ve write the electron-ion potential in its Fourier series refreswatetion: Then t'e electron-lattice r‘otential is -1 ‘f. ; v(r-§Q) = :2 vf e‘ r of , (32) 2 ’b m tiere p 5 Z exo(-imQ-:) (33) ’y 2 ‘is the density fluctuation ooerator for the arrangenent of ions, ithich, considering the ions as noint particles, has a number (39) 1 . p . 5 'oot + -'.-£ . u”: =2 (ii/L’Daiwan) {334th e1 + a m e W- ] . (4o) n,o ‘ “ ' “ lieere nrm is the number of nhonons of the (g,r)-mode nresent 1Y1 the state In), D is the mass density of the crystal, he?“ is tfmg energy cf a (g,n)-nhonon, and gap is the eolarization vector .23 of the (g,r)-mede. The following Debye annroximetien of the lattice vibrational srectrum is also assumed: longitudinal branch: org = cs ._ . w. -.-. - (41) s — average sneec 9: sound (longitudinal); transverse branches: wpt = csf, t = 2,3 (42) s < s . t Use of the Detve snectrum 'nvolves ignoring two maior characteristics of real acoustical spectra in crystals. First, there is the anisotropy that prevents decomeosition into longi— tudinal and transverse branches exceot for certain symmetry directions and which is further revealed in the variation with direction of the slooe near o=o of the various branches. Second, there is the dispersion of the w(0) vs. 0 curves as o annroaches the edge of the Vrillouin zcne. 9n the first noint we must resign ourselves to the limitations of the model, else the nroblem becomes intractable. 5n the second point, we are fortunate, for in the next chapter we show that in two-Dhenon orocesses the maxi- nmm energy of a nhonon that can narticinate is one half the initial electron energy. Thus if we limit ourselves to average electron energies of m lOO deg K, we can draw comfort from the vibrational . . 23 . spectra of germanium ehtained by Brockhcuse and Ivennar which are cuite flat out to "longitudinal" nhonon energies of m l50 deg h before they start to tend over noticeably. Fven the "transverse" r‘honon branches are nuite flat out to ohonon energies of m 50 deg K. iJe conclude from such curves that the velocity of long wavelength f‘. I acoustical vibrations must he used for s rather than some averaged ouantity such as one might derive from a snecific hea Cebve temoerature. The electronic hamiltenian 2 He : 2m + H o (‘3) is all of that hart of the total Hamiltonian of Fe. (29) that is invariant under onerations of the lattice translation grouo aonlied to the electron coordinates. Py Bloch's theorem, the eigenstates of He may thus be represented in the form -1, = yk({) = o 291k'r xk(() (44) ’b where xk(r) is invariant under the translation grouo. The eigeneneroies will be denoted by E(h). In this work we are inter- ested only in orocesses involving a nondenenerate band--conse- ouently the band indices will be suppressed. 7f course, the wave vectors are then limited to the first Brillouin zone (82): 1 a l— 1 o l - - - _L. - _:._' lg- (a,m>(k1,k2.k3>. -, g,a)3< k, _<_ 4,3)3 . <45) lle further assume that E(k) has a minimum at k = o and that in ‘this neighborhood it can be apnroximated in an isotropic effective niass form: E(y) = h2k2/2m* . (46) The stationary states of the electron-lattice system, in ‘the absence of the interaction U of Ed. (36), are described by 25 the product of the state vectors (39) and (44): |§,Q> e |k>ln> . (47) Resitivitv will arise due to the transitions between states of this basis set induced by the interaction U. Despite the fact that of generally does have a dianonal tart in the basis (47) as is shown in Annendix A, U is strictly nondiagonalas nay be shown by the following. Denote the diagonal part of lattice onerators by the brackets <...>(Oz [ccording to results due to Glauber24 discussed in Ponendix 5, the diaoonal oart of the lattice fluctuation onerator is (o%>(0) : Z E-TT-t (o) (4g) 2 with (e-iui°f>(o) = exn - 3(:(u -f)2>(0) = indeoendent of Q (49) u 2 mg m I m. The factor (0) may thus be taken out of the sur over 2 in En. (48) to give ’L "(Wu (0) = (o/a ) a(f) e 2 t a m [But when f cannot be one of the recinrocal lattice vectors--a icestriction contained in U--then the diagonal cart of the lattice (density fluctuation of vanishes and with it, the diagonal rart (3f U. It is a comfort to see that the interaction as so defined y/ill not give annarent transitions in the case when all ion dis- ??lacements are identical; this result can be obtained without l\) ll 8C recourse to ‘lauber's :nalvsis, for one need only set g2 factur C.) = (independent of g) in too eXprCSSion for pf(#c) to get cf a(f) which must vanish for f f G. ’b 'b ’L The transition inducitg property of the interaction d ' .. _. ° 1 ‘ __ if‘Y‘ is mad fare transoarent by ex,YESSlnC the erectron o erator e . . 25 . in terms of construction operators for carrier states: U =ZE: 2Z:: ch = (O), (the state having no electron), & = 5' = 0 . 5 f 5' ; _ . (52) CkIO> - 05 i" .. C k-Klo) ‘ lt't> The carrier matrix element is ' ' -l 3 Q’filelf VHS) 3; J2 d Y‘ X V_V(Y‘)x(,( ) 1(K+f) s 53) _ i(K+f) r ( - a(§+{) (g-gle lfi) where (K+f) _ -l 3 (K+f) r (§-§|e l5) : Qa Qd rx . , Xk e (54) 31ince Uikla on srccesses--correspontino G¢O in tle A(K+f) in Lo. (53)--are not appreciable in semiconductors having narrow 27 vallevs in h-snace, we henceforth consider only the case g=0; that is, A(§+:) = 6(é,—£). Then Eq. (Sl) for U may be rewritten: ._.-. s : " .I'W ... U [*2 (5251:) ”K O_KC k-ch; (55) where the ccuoling function 9, is defined as l _ _ -- / n : 3.3 V ', l‘\ 1, Ifi— . V ‘mm ) . (56) 'l \v N In calculating the transition orobatilities for scatterino of the carrier, we shall need the matrix elements of the inter- action U between latticn states that differ by one, two, or were nhonons. That is, be {rene’ese U into e "um (57) U z Um + mm + in which U(]) has non-zero matrix elements only between lattice states differing by one phonon, U(2) has non-zero matrix elements (only between states differino by two phonons, and so on. it first glance, it mioht seem that the ooerators U(]), LJ(2), ..., could be obtained by takinn for, say U(n), the n-th (jeqree tern of th; power series for the exoonential exo(-i:°£fl) in C‘f(#G)° This will nct do, for on examinino the terms of degrees ri+2, n+4, n+6, ..., one can see that thew also have non-zero rhatrix elements between states differinn by n ohonons; thus rarts (if the n+2, n+4, ... denree terms of the exponehtial nower series PHJst be grouoed with the n degree tern to obtain U(n). Tiny of tfiiese higher denree terms will be of order 013-1) with resnect to ttne nrimarv term, but not all cf them will be. 28 The problem of sorting out fro m a function of Rose f eld the part that refers to a change in excitation of the field by a given number of euanta is a problem that also occurs in such contexts as Dion theory of nuclear interaction and theory of neutron diffraction 24 method of attacking this from many-particle systems. Glauber' 5 problem is discussed in Appendix i. It is shown there that the eart of the operator exp(-i£°g£) that will have non-zero matrix elements only between states differing by n phonCis car be written as (n (4?: Lawn <-if° u2>(o) (58) r. He must exphasize that the right hand side of EC. (38) is an operational representation for the left side to be used only when we are taking matrix elements between states differing by n r‘honens; it is obvious that the right side will also have matrix elements between states differing by (n-Zj) chonons (j=l, 2,...[n/2]), whereas the left side (by definition) has zero matrix elements for such states. The diagonal orerator en the right side of EC. (58) is 1 — O -- g 2 (O) " (e f u,>(o) = e 2((f up) = e“ (f) (59) Ch averaging over the thermal ecuilibrium state of the lattice the nuantity in Ee. (59) becomes the Debye-“aller factor familiar in x-ray and neutron diffraction work. The main effect of the higher degree corrections to the simple {Bower series expansion form, (if-u2 )n /n!, fthe n-phonon o:_ eratc r tlius is just to multiply that term by the Detye-“aller exnonential. f: Fk)r a Debye model2 x q 2 o/T l(f) — 3 ”le - TL L {l + 1 } xdx ’60) ' ZMGk- 0 r 2 ' eX-l ) . . V . . . O wiere 0 l8 the Desye tam erature of tne crystal (9 2 400 K), t is the mass of an ion, and T is the lattice temperature. L The limit of ” fcr lcw lattice tehperature is2L 3 hzrz ”(f) -> 2-1- 0 m as TL *0, (61) which will tend to reduce matrix elements for large wave nunber change f. The effect of the Debye- aller exponentials may be quite ccnsideratle at high temperatures and/or in metals where, because of degeneracy, Wave vector transfers i=5 may be large.:7 In the present situatio , they are not significant except as a matter of comoleteness, for the following reason: The wave vector transfers =K are of t”e same order as the initial rave Vector g m m g ¢ for whicn en the average, §E%E" g 100 deg K. Tue mass ratio _5 B ]21.2 is m*/M 2 l0 ; therefore, §fi7—-<< O = 90 def K. a, L) Arplying Glauber's analysis to the orerator U, we find (details in incendix A) trat the one- and two-phonon operators can be written as follows: 1 U(]) = i2:: gKK e'H(K) (h/ZDiwe)2 cf“ Kc,[a+K + a K] . (62) k’K f\ \- l< - U(2) = -% QYKZ e' (K) (h/CDQ) cf, KcK k h ‘ " r ’ (33) N -"[3 .h ‘ n'n' ,, COSC°5(}<,-_~ )<;_ a . .§(g+g‘.-:) + .00 "U (mommy In Eq. (62) phonon polarization is limited to the longitudinal mode, and lattice ouantities for which the oolarization index 2 is omitted refer to this mode. In En. (63) the arguments of the cosines are the anoles between the electron (crystal-) momentum loss é and the polarization vectors of the respective nhonons. Note that on the right side of to. (C3) the guestion of noncommutativity of a7 and a+C does not arise because we are ) to take the two-hhonon oart (...)(Z . The question now arises: ”hat "ionic" potential v(£) to use? Thus far, we have not said much about v(£) aside from assuming that it and its Fourier transform vf exist and that it will give us a narrow valley conduction band as a solution of the namiltonian he[Ee. (43)]. In valence crystals such as germanium the unit cells are electrically neutral (except for the occasional impurity which we shall neglect). Thus, the potential v(£) is not really ionic but is rather the aotential of a positive core screened by an equal negative charge in the form of the filled valence states. The screening distance can he considered to be (of the order of the lattice constant. Such a short screening ciistance reguires that the Fourier transform vf vary little with 1: until f becomes of the order of magnitude of the first reciprocal leattice vectors g(#3) and larger. This is a common feature of FOurier traasforms (compare the uncertainty principle in wave rAechanics), and it can be illustrated by a Thomas-Fermi screened C<>int Ciarge notential: _ e -r/r {V({)}TF "- ‘7" e 0 (64) 3 Z -” -l {v } — -4nZeC (f + r a ) f TF 0 = ~4nZe2r2 , for f<, will be taken as a constant determined by the total transition rate from an initial state, averaged over initial states: Y = <; Wi+f>C’-‘.v(over i) (69) He shall also work under tte hypothesis that low order pertur- bation theory is valid here. This will be taken to mean first that Eo. (68) can be solved to an adeouate aoproximation by the first iteration: Tfi z Ufi T Kfi (70) where K . is the effective second order transition amplitude f1 in E0. (7l) we have introduced as a matter of notational con- venience the damoino energy F e hy/Z. The second implication of our assumption of valid low order perturbation theory is that we shall ignore all self-energy effects mediated by the electron-phonon interaction; these can presumably be adeouately accounted for by using empirical effective mass. There is thus no residual level shift from this source, and neither is there a shift from the diagonal part of our strictly nondiagonal interaction operators. The perturbation operator that enters in this work is the ceerator U [Eo. (55)], and our particular interest lies in the 2) operators U(]) and U( [Eos. (62) and (63), respectively]. 34 Lon-vanishing matrix elements of C(1) and U(2) are schematically n) ) represented by Figs. (2a, b). Use of U t ice in EC. (7l - . .. ...- . (2) produces the e.fect.ve two-phonon tranSitlon amplitude Kf, , .0 represented in Fig. (2c). Figures (2d, e, f, 0) represent the rest of the second-order transition amplitudes following from the use of u(]) and u(2) in varying combinations in Ed. (7l). These are neglected either for the reason that they are self-energy effects that can be accounted for by using the empirical (renorma- lized) effective mass [Figs. (2d, e)] or as a conseouence of our hypothesis that we need keep only the lowest order transitions that relax the stringent one-phonon condition on available phase space for final electron states [Figs. (2f, 9)]. Vith the preceding restrictions, we thus find for the one- phonon transition rate l 2 l 2 . IT$1)| = IU§1)| - (74) And for the two-phonon transition rate, we find lighz = high-2 + IKE) 9 + 2 (eating?) 3 ”ii + ”gi + Vii (73) Here (I) (l) Kg?) hi??? :3}? . (74) In E0. (73) the term $21 a |U$§)|2 is the contribution to the 'tyno-phonon transition rate arising from what He shall call "direct" ‘tVMD-phonon processes, considered independently of the other kinds I1) (2) .(23 I; a: an’ Kg? "fi' F 6 Km K“) J? :6 (l) fi r~ * ._ I ':n. 2. {Clematic re ras,rtation of the ratrix elerents U 2 . , . . . . _ arid Ufi) one toe second order tranSition au*litu-es K51 deriVed fioom them. The straight lines represent electron romanti; ”av; l‘ines renrc.- t phonzn fiOiENt7. 36 of two-phonon processes; this will also be called the a-type contritution to the two-phonon transition rate. Similarly, the c-tyne contribution cores from the term ,c (2) 2 L. , . n.“ . . " nfi a [Kfj I , WHlCfl represents the intermediate-state two— phonon processes--so called because of the oassane (for very short periods of time) through the intermediate states, |j>, [Ec. (74)]. Lastly, the direct and intermediate-state processes are not statistically independent. The term V21 5 26E2,UJ$:)*K$§)) represents the interference between these two processes; it will be called the b-type contribution. The b-type contribution will often in the following be referred to as arising from "interference" two-phonon processes--as if it were truly the Square medulus of a transition amplitude, in spite of thc facc that for many physical transitions, 2:1 is negative. This terminology is adooted only for brevity, and no real confusion should result. The non-vanishing matrix elements of the operator U(1) are, by EC. (62) 1 { l+n1 (y-' nf|U(])|k pl) = i e‘“ K(h/2“ow )5 ‘»’T’K (7n) 6’m m’& gK ””WK {'nv ’ ” venere tne final lattice state (Q > differs from the initial i . . . . In ) by only one phonon in the o = K, longitudinal mooe. The “a" ' 'b’b LJpner storey of the brackets {...} in En. (75) refers to phonon eemission; the lover, to phonon absorption. The one-phonon transi- tLion rate may thus be written (l) , :21: K. 4,42,, W (ktt't) “h 2025 (qu ) '4 , l, ’ "4 37 2n the other hand, the result of the usual one-enonon theory . 3l is x 5(F(k)-f.(lq 1 l l B h kL 3 I. E _ m = . (l-k no ) . (79) 2 6" DS(h2/2m*)2 <2m*kBT S " Tine use of a maxvellian distribution for tte average <2'2>k yields , ere 2 [(31 I‘d : '7) (3]) 4nDS(flb/2F*)h and l m 3/2 3 ”2kg : "-X 7-, o : S : T T 0- Ir (3777T (x dx e x (. dxs7x) ,(xs - Cm*kDT 15/.). (o2) s s The ouantity IP can be expanded as a series of incomplete catta functions: 1 = - 2 7 IF [f(5/2.x5) 3 xS r(2.x5) + 3xS r(3/«.xs) , o/.‘ . \ ,, . -..», weal/«57-) , (82) Selected values fellow: = T = xS Ts/' O.l 0.0l 0.00l (3 ) IF = 0.46 .7: .9o Since IF is so insensitive to the temperature, in sutseruent nurerical work we shall give it a constant value of unity. The discussion now turns to the tic-phonon transition rite (2) _ (2) i f _ a c ., wif _ w (Q ’§ + Q ’t'é) ' W1; + wff + wjf (it) vehere a _ 2n ,(2) 2 r wif ' lin I 6ngi) (8d) and To get the total rate for a given electronic transition K + 5-5, it is necessary to perform a contraction over the phonon degrees of freedom inplicitly contained in Eg. (84). This contraction generally will take the fonn of (l) a thennal average over initial states of the lattice (in the atsence of mutually strong electron- phonon coupling) and (2) a sum over the r‘ossible final states of the lattice. Thit is, w(2)(¥ + 5—g) = E Z. 0(Q1) W(2)( jg£ + f: ¥'§)9 (89) n in which p(pi) is the thermal weight factor for the initial lattice states. Invoking the cold lattice assumption, we nenlect all factors p(pi) except that for the lattice ground state IQ) for which we 'take p(Q) = l. Eouation (83) then becomes 171 which the two ohonens in the final state are of the (g+,p+)- iirid (g_,p )- modes. Ye remark that becaUSe of the large number C>f’ modes ( «o/Qa+m), the coincidences (3+,o+) = (g_,:_) in En. (90) ”“33! be safely neglected. 40 There are thus eight degrees of freedom iivolved in the Coh- traction indicated in Fe. (93): three comn nents of the wave vector and the polarization for eact phonon. Hot all of these degrees of freedom are inderendent. Some constraints are provided by the basic selection rules of energy conservation as enforced by the peak function 6(émi) and of momentum conservation (neglect- ing umklapp processes) as enforced by a Kronecker delta, 6(g,k-g+g++g_), in the transition amplitudes Téfi). lfiere is also the particular feature of the rigid ion interaction with carriers from a parabolic band that only longitudinal phonons contribute ..(2) to the operator E(1). Because the transition amplitude “f1 is built up from the operator U(]), it then follows in our model that the b- and c-tyne contributions to the two-phonon transition rate involve only longitudinal phonons. Transverse phonons will contribute to the a-type rate, Ha. The transverse sound velocity 5 is typically within fifty per cent of the longitudinal scund t velocity 5. Hence the use of s in place of st ought not change the transition rate wa and its conseouences by more than an order of magnitude. he shall find that setting st = s in evaluating w“ is a luxury we can well afford, for the a-type contribution proves b c ‘to be many orders of magnitude below those of either w or w . In perforning the sum over pnonons [Eg. (90)], it is convenient txo describe the electronic transition k’+ K - K in terms of the iriitial i, and the losses of momentum, E, and of energy, e, where on - egg-p -- 2:2: (on-K2) (9i) aificj u = cos(h,§). Energy and momentum conservation rules then read e = hs(c++e_) (92) ES: m+ + g- (93) It will nrove c nVEDTELt to rewrite Ers. (92) n3 (93) in dihen— sionless fore: go = 3+ + ;_ (94) 5 : P+ + Q- (95) where 50 2 e/th , it: gt/K , g = g/K. (96) The paraneter 5 can be th;uoht of as a reasure of the energy lcss efficiency of a t'o-hhonon erissicn nrocess in comoarison to one-:honon emission, since the enerny loss in one-nhonon emission is e = th. Note that the r nentun less K may be written as K = zen-50kg). (97> ivhich is the neneralization for two-rhonon erission of the one- ishonon condition [E0. (4)] and from which Eo. (9) follows. Equations (94), (95) establish the neonetry for the sur (2ver narticioatinq ohonons. The ends of the unit vector E are the flaci of the hrolate spheroid K [see Fin. 4, (on. C] which is the 1Ocus of the canton ooint of the (reduced) wave vectors i+, §_. Theeccentricity of the ellintical crtss section in any plane . . - . -l . . . . . . COntaininn 5 15 e = go , and toe semimagtr aXis lS a = -g . {e 42 stall Parametrize the sum over narticioatinn nhcnons in tenis of :vrolate snheroidal coordinates g, n, ;, fcr which we ntte the follo“ino bronerties [mere details are c:llected in finnendix F]: t = n + n . (l:t ° — ' -——-¢ ' 9(E -l)- (1 m+ m- £0 2“) Q2 £;_n2 0 Fe then find the a-tyne contribution to the electronic transition: C2U4 a _ l l l“ W (AS-*lejé) - .— 0 3- ' 7'3 ° 9(50-1). (109) 3 s 211 US This last exoression, when substituted into the average power loss formula [Fo. (23)], will yield Pa, the a-tyoe contribution to two-ohonon power loss. The second order transition amolitude K(2) [Eo. (74)] is now fi . . . l a 2 reou1red. Being made up from the one-ononon operator U( ), kgi) 46 ;k-K) has only two terms in 'N’b for the transition (Q;§) + (lr+,lo the sum over interoediate states: m = lln+’oo+3t‘8+> and |j> = l0p+,lc it?) We thus find (2) _ (2) . Kn - K (event-Wt) hf? l 1 (110) - _ _;__.. 2 - - 2059 (q+q_) [aE++ir AE_+ir]A(5 3+ 8-) in which aEt 25(k30) -€(,§-gi;ni) 2 (lll) = E——-[2tc cos(k o )-02-°k 0 ] 2m* “"1: m’q'jt 't L 5 it ° Use of Eq. (llO) and Eq. (lO4) gives 5 _ ,. (2) (2) 'qki:=ilgftg ‘ Ccfi2(uif Kfi ) C?h2K2 at, = - ————————-. cos(K,o )cos(K,o ) ) ' (ll?) (2bso)2 m m+ m m- i (aEi)2+r2 x HIS-revs-) Cnly longitudinal phonons are involved. The sum, 2, is eouivalent 2 ti to twice one of the terms because the lateling of ie thonons is arbitrary. The b-type transition rate is then 2C3h2K2 AE wgf = - Z%—. —-l——-§-cos(K,o )cos(K,o (ZDSo) ” (ll3) X A(§‘g+'g_)6xe‘$9(9++q_))o 47 The integrated electronic transition rate of the b-tyne is C3 b -l l 4 iv (K+k-K) = -———-- ~———— - K ° 9(5 -l) m m m 24"Q D283 0 (114) X I ._a _1 0. 2n q A5 a] e-u-agn- ———————2 2 0 (AE+) +r g . . . . . .b Jote the expliCit negative Sign of the guantity Wfi [Eq. (ll2)], O arising from the sign convention of Eo. (78); this acts to reduce the effect on the total two-nhonon rate due to the positive definite parts “ii and “$1“ It is worth noting, however, that this interference is not always destructive. Either one of tne polari- zation factors or the factor AE+ can become negative, making the interference constructive. Finally, there seems to Le no adenuate way of approximating the ouadraturcs in E0. (ll4), and we resign ourselves to the ultimate necessity of using numerical methods. The derivation of the c-type transition rate follows the by- now-familiar pattern of the a- and b-tyne. The microsc09ic rate is n2c4 wif=g%w]2'(n+c)°[ 12 2+ 12 2 (ZDso) (AE+) +r (aE ) +r 2 (ll5) AEiAE'+F ] ( ) < n < )) + 2 A K-g -n_ 5 8- s o +g_ . [(AE+)2+F2][(AE_)2+F2] “ ”i “ * And the integrated electronic rate is 4 C l 2n C l l 4 d 2 2 2 w (k+k-K) = ' ' K ‘8(5 ‘1)[ do] ’£'(€ '9 ) m m m 27"Q D253 0 O 0 2n 0 r 2 HO [ 1 1 2 AE+A»_+F ( ) x —_——__-+ ——————-+ Azi+r2 AE§+r2 (AE§+ 2)( r§+r2) :3 3 where AEE E (Aft)2. The term AL+AE +r2 ( 2 ‘ ii7) (atf+r2)(atf+r2) reoresents the interference between the two ways of passage through the intermediate state; we may expect this interference to make only a small contributioa if the width of the resonance arising from AEi = O is so small that the AE+ = O resonance does not apprecially overlap the AE_ = 0 resonance. The integrated electronic transition rates [Egs. (lO9), (ll4), (ll7)] will be used in the next chapter to derive expres- sions for the average energy loss rates as functions of electron temperature T. VI. ThE T”9-PHOICJ PTUEP LOSSES-~“ESULTS AND CCkCLUSIWN ”e may now, using the electronic transition probabilities developed in Chapter V and the (4axwellian) statistical distribu- tion of initial states, write expressions for the average rate of energy loss due to the various components of the electronic transi- tion rate. First, for comparison, the average one-phonon power loss is ( l "l P 1) = n Udt.,£,2e'Ek/kal] e :\ L %_ TTCZ _ l; x JdEkfik e Ek/“BT JQK E§%-K . (Ek-Ek_K)a(Ek-Ek_K-th) . 2 c. n3/ZD(h2/2m*)5/2 B s where QK = V 3 d3K. (2") Here we have introduced the dimensionless variables x = h2k2/2m*kBT, ‘2 2 *. T “2kg 0 y- K/2m..3., XS :TS/sz (]]J) l/ in terms of waich the dorain of the pggcos(k,K) and n integra- tions are lipiudei/XSH, (l20) O :_y :_y E 4X(”-ud) ; the function I 49 s (lZl) % i = r(3,XS)/r(3) - (3n /2) XS r(5/2,XS)/r(5/2) l + 3xsr(2.XS)/r(2) - n 2 xs3/2 r(3/2.XS)/r(3/2) + x 2 r(l,X mm S S where r(n), r(n,x) are tie usual complete and incomolcte maria functions which are tabulated, for example, in fleference 34. The a-tyne comnonent of co“er loss, arising from direct tio- ohonon transitions considered indeoendently of the intermediate- state transitions, may also be written in terms of tabulated func- tions: on _1_ E /k .. -l °° % E /' -- Pa = n J dE,E,2 e‘ k 'B' I dE F e"; ‘r' e [(3 {,2, [k k k 'd 2 x [av ——El-——-V4 (E - E ) (122) m 25113253 k k-K 2 4n C , = e 1 9/4 a 3n7/20253(h2/2m *)7/2 (kBT) I (Xd) ’ wnere m l - — 5 ,2 5'. Ia(T) = %T'J dx c X {x (l - (XS/X; ) Xd l g l + lOXE x (l - (XS/x)2)9} (i"3l F(G.Xd)/r(7) - 9X,r(5.X;)/r(5) l 3 4 (1‘én2/1)x52r(9/2,xd)/r(9/2) - (xv/:)x;r(.,x,‘ ri' Sl % I: _ \ ’2 [I ‘. (I + (\ v n f . (I A U1 NU‘I r(7/:.Xd)/r(7/Z) - (35/2)x§r(3,xd)/r(3) “ (123) [\HH 7 2 a . . h + (9“ /::)xS r(5/z,xd>/r(s a) - (2)/d)x:r(2.xd) l + (NZ/3)X m NIKD F(3/2,xd)/r(3/3) - (3/4e)x§r(1,xd) In the second eouality of Eq. (l23), the threshold has been raised to k = 2kg, or xd = 4x5, to take into account the condition that d not all states with initial wave vector k in the recion kS i k _<_ 2kS (l2?) can be taken to the final state k = O bv two-phonon transitions. By so doing, we are neglecting these initial states in the region of En. (l24) that can lose all tteir energy in a two-ehonon transi- tion, thus making an underestimate of the bower loss. This, how— ever,is a small point because our interest is in situations in which the average wave vector lies an aporeciable distance outside this region. The ratio of this direct two-ehonon nover loss to the one- phonon loss is then 9(a)/P(1) = (k7T/Ea)3 1(a)(T)/I(1)(T) (125) where the comnariscn rarameter (having dimensions of energy) is [a E (3"2h3Ds3/4m*)1/3 ‘ (‘25) *r “;r n Ears 1 *r *rewgr i* n-tfi”: germ uiu , M J E = 2.55 eV = 2.05 x 15’ deg Vofih . (127) r‘. 5. L. The ratio 1(a)(T)/I(])(T) is of the order of unity for T > T ; 5 selected values are given in the following short table: TS/T = 0.023 0.0l 0.0025 0.00l (lZ‘d) 1(a)/1(]) = .90 1.02 l.06 1.05 We thus conclude from Egs. (l25), (l27), and (l28) that a-tyée two-phonon power loss would not become comearable to the one- phonon eower loss for any reasonable case. He turn next to the b- and c-tyee two-phonon contributions to the power less. They cannot be reduced to tabulated functions, and no adeeuate analytical approximations have been found for them. He can do no more than reduce them to euadratures which are then estimated numerically. Thus, for the b-type (inter- ference) two-ehonon power loss we find, using Ee. (lld), 1 -l b E -E k T P = ne UdEkEk e k/ B] 1 °0 ' I, C 4 x I dEkEvz e-Ek/kBT [Q5 (Ek‘Ek-K) {' “2"12“§" E T 1 2n D d i 2 2 + x BRO-‘14 “3‘! %% (1'50?) )[fl] .1 0 D++pO J50 2n,%c2(k T)”2 c (k i)2 _ _ ti 1 B . 1 B . Ib(T) n3/Zn(n2/2m*)5/2 E: where b 3 m -x 2 1 yu 3 2 1 d 2 2 I = _§-J dx e x J du I dy y 2xS g I —%—(l-go n ) 2 Xd ud O - x 2n g5. 0+ (13‘) Zn 2 2 ’ ’ o D++rO 53 and where we have introduced the following dimensionless forns of the energy changes at, and line width r: U m H- AE+/kBT " (l3l) “"1 ll 1 . F/hBT (where we have set Ir=l, according to the discussion following En. (82)). (The constants are grouped so as to facilitate the comparison with the power losses P(a) and P(1).) The multiple cuadrature ID was estimated by Monte Carlo technioue (see Appendix C) over a wide range of the ratio T/TS. For the following nominal values of the parameters, Ea = 2.55 eV, C = l0 eV, r0 = 2 x l0'4, the results follow: 1 15/1 = J- 0.1 _J 0.01 J 0.001 -P(b)/P(1) = I 510’7 ‘ 2.8(:.3) x 10‘7( l.60(¢.03) x 10‘ (132) 7 (humbers in parentheses are the probable errors, obtained in the usual way from the empirical standard deviation.) Lastly, the average power loss contributed by intermediate- state transitions is, from the transition rate of E0. (ll6), .1. a -1 o. - , ._ PC = ne [ (dEkE,2 e-Ek/kf‘] J dEkEk2 e'Ek/LB' ’ o (133) 4 C 4 l 211 r l K do 2 2 2 x dK-(EfiE/ )°{ ° ' I d0! — (E '0 ) B f q ' t ' Eo _ (133) = ZhefiC](aBT) . - o n3/20(/f/2m*)5/2 L3 c - .. I 15 the multiple Quadrature 1 m - l dx e-X x2 I d Ud Here c _ 3 I “ '11'( X y du J udy V 2 o A = D + r. . (135) The ratio of c-type two-phonon power loss t: one-phonon power loss is then PC/P(1) = (C]/Ea)2(kBT/E3) - IC/I(]) . (136) -.A Preliminary Monte-Carlo estimates of the multiple cuadrature IC indicated that the ratio P(C)/P(]) was within an order of nagni- tude of unity for nominal values of the parameters C], m*, p, ard s. The integrand has a great deal of variation, and even with a high sreed cam:uter such as the Control Data 3600 it proved impractical to carry the computations t0 the point where the uncertainties of the estimations were less than about 40%. Such uncertainty, ho ever, may still hermit one to determine whether ‘the (c-tyoe) two-phonon transitions are significant in the energy r“elaxation of a heated electron gas. The details of the numerical I” 35 estimation methods used are presented in fl:pendix C. lhen the nominal parameters C1 = l0 eV, [a = 2.55 eV, to = 2 x l0—4, and TS = 0.ll5 deg K are used, the best estimations for a range of electron temperatures T follow: (‘37) T(deg K) = 5.3 11.5 25. 53. 11C PC/P(1) = 1.94 2.68 3.25 1.02 2.30 (% interference) = 0.3 0.2 0.6 0.6 l.0 I37 The line of Eq. (+98) labelled "% Interference" represents that fraction of the total intermediate-state two-phonon power loss arising from the interference between the two possible inter- ”) ' ’Q o . '2‘. + I + n + ' KI med1ate states. (l) 5] + & q+ + hf &+ g_ and (2) 51 + & + o + h + o + c . That is, the dominant contribution comes f «5+ g.- N,- 1 + o:], of Eq. (l34), whereas the inter- from the two terms, A; ference term, 2(D+D_+F02)/(A+A_), contributes only one per cent or less. The two intermediate states are thus almost statistically independent. (own), The uncertainty of about 40 per cent in the ratio P \31 of course, means that the three figures in E0. (+38) are not all significant. In particular, the dip at 53 deg K is likely spurious. Nevertheless, the conclusion seems justified that the intermediate- state two-phonon transition contribution to power loss is at least (:omoarable to--and perhaps greater than-~the one-phonon power loss. he thus conclude that accordino to the model developed in this paper, direct two-ononon transition contribute very little to ECNNer loss. The interference tetween the direct and intermediate- 56 state two-phonon process has tye proper sion for cancellation, but it lacks the magnitude to be significant. ind the intermediate- state two—phonon transitions contribute a power loss comparable to that of one-phonon transitions. It would seem that at low tenpera- tures and moderate fields, where optical phonons cannot be active in energy loss, theories aiming for cuantitative agreement with experiment ought to take into account the energy loss due to two- phonon transition. fit first glance, the conclusion that c-type two—phonon proc— esses are comparable (in energy loss) to one-phonon processes might appear to depend fairly strongly on the particular value of the interaction energy C], and hat the nominal value, C1 = 105V, used in the numerical estipates would not apply euite so well to, say germanium where the value derived from pobility exoerinents 33 is C1 = l3.6 eV. Fumerical estimates, however, indicated that the product, C? IC, has much less variation than either of its factors. Recall that to a 0?, and denote the multiple guadrature IC as a functional: IC = IC[FO]. The ratio P(C)/P(1) is then proportional to rolcfro], and numerical estimates made for T = ll.5 deg K are summarized as follows: r0 = 1 x 10"4 2 x 10'4 3 x 10'4 1C[ro] = 9;3 409 255 (l38) FOIC[FO] = 0.0913 0.0513 0.0755 The result that the intermediate-state two-phonon power lczss is of the order of magnitude of the power loss be one- gonzo 57 processes also lends suiport to our original assumption that perturbation theorr ”orhs. For, even after weighting the interwediate-state t o-phopon transition pro ability with energy losses that greatly exceed those of one-phonon transitions and after summing over a domain of final states that also greatly exceeds that of one-phonon transitions, we still obtain an averape two-phonon power loss comparable to one-phonon power loss. 'e may thus infer that our moiel provides that individual two-phonon transitions are much less pro‘able than one-phonon transitions. For contrast with our conclusicn on the relative importance of two-phonon processes in energy exchange, we may mention the work of Franzah and Tailyn35 in which the relative importance of two-phonon processes in romentum exchange in tie alkali metals is small. These workers found that the a-t re c1: 4,..1 '1" it . A ‘ " ' ' “ “ ‘ ‘ ’ " l- \ ’ - I" i r" :5 T v ' ‘ 4 I H ‘ * ' . 15 t9? e. in t.« 'res.n. - e1) F t.e .gu5_e .pn « -r..,1oi‘ ~ 3! . n : 4' ‘ -' ‘V - >- - v ' v . . . ‘ a I ‘I . q' a. - . f, : T.L;, x.t. no .. r c s e 1nclu-e , contriiu-eo - c --0- n L. .5. .' .— ‘:' \ A, . ' 4- ,. .- . . E. .' 0/ 1,. ”' - . ,. ego (l: . .,u, Cg_aUCt’#lL§ af al~ a~eu_ as . 19$ , even at FPPEEDIX A Oh THE QULSTION OF VIVTUSL PVCCESSES IL V-PHfiNTK “DERKTCT The interaction operator in this borer has the form U =ZELSE-o c+ C k K9 «K k-K k 0-K(¢e) (r l) where ' -K ‘ oK ; Q-K =; e12 e1u2 = p+K . (n.2) We are interested in the ratrix elements of U between lattice states differing by n ohnnons; for convenience, in this hrpendix only, we use the tenn n-bhonon processes" to designate the non- vanishing matrix elements between such states (this temoorary terminology is not to be confused with nhvsical n-bhonon transi- tions). Consider the operator: 1 1 l h E . /‘ 51Kou -1249 (3‘ U K'E (TO-9,_ ”110211.. l m m? Z'w m mto " Q.“ :1 ” _, (A.3) _ ‘ 2 * ,+ _ lhiQ (AC?a‘“ + A PC 0,) where l x = (n/zna )2 K-e e“2 = indenendent of (;.4) on ” ' op m map ' ” volune o. It is readilv annarent that "n-nhonen nrocesses" will be SJenerated by tie n-th degree term of the power series represente- 58' 59 tion of the onerator, exp(fi). However, the terns of degree n+2, n+4, n+6, ... will also generate "n-phonon processes" because cf what we call virtual processes. Virtual processes correspond to nn+2 the presence in, say, the (n+2)-degree operator, . /(n+2)!, of terms in which both the destruction operator an and the creation Operator a'O of the same mode anpear as factors and there is LO ..f. other such mode pairing between a and a in that term. This situa- tion corresponds to the creation of a phonon cf the paired mode and the immediate destruction of a phonon of this mode, while the remaining n unpaired Operators in that term generate an "n-ehonon process." Similarly, in the (n+4)-degree term there will be terms involving two virtual processes that will contribute n-phonon processes,‘ and so on. Glauber developed an analysis of multiple boson processes that is useful in sorting out "n-boson processes" from fairly general functions of the Rose field.24 There it is shown that 1 * .a+,) the . . '2 for an operator haVing the form A = 12 n (Xiai + A 1 l . m . effective part of tne power, A , for a "n-boson process" 15 ’.m (n) _ m n m-n (0) _ l |n dn m (0) , <.«> — (n) I. “Fifi {Ii-AHA (.—.5) where (E) is the binominal coefficient--the probability of select- ing n things from m things without regard to the order of selection, and <...>(0) indicates the diagonal part of the enclosed onerator. The argument leading to this formula goes as follows: ”e select ‘from Am the n factors of h which are allowed to generate the "n-boson process," he remaining (m-n) factors being allowed to o0 carry out virtual processes only. There are (E) ways of carrying out this selection, and if re set aside for the morent guestions of commutahility, the n factors of t can be collected as L” thus giving Eo. ( .5). It must be noted that the right hand sides of To. (fl.5) are rerresentations of (Rm>(n) that are to be used only when one is taking matrix elements Letueen states differing by n otonons; . . .. . . - . n tne pos51ble ambigUity can oe renoved by replaCing P by the ' " '- ". An (n) somewiat redundant notation (m > : m (n) l n (n) n m (0) . . (A ’> = —— < A > . (A.5 ) n! d.n The argument leading up to Eg. (3.5) does not take account of the noncomoutation of creation and annihilation operators belonging to the same mode but coming from different factors of A in the power Am. Those corrections arising from the commu- tation relations, [aA, ax.+] = 6 are not significant, for AA" these correction terns are of order o/oa with resoect to the right hand side of En. (A.5). That is, of the m factors of F in Am, let us consider two given factors of h: one which will go into the operator (An>(n) and which will contribute to the change in phonon states, and the other factor A which is in the operator (Am-n>(o) and which will give only virtual changes in Dhonon states. According to Fe. (A.3), each A contains a large (N m Q/oa) number of phonon operator terms, and the product of tflie two A's we are considering contains “2 terms. Corrections to) E0. (h.5) arise only when a creation (annihilation) operator in one A belongs to tie same node as an annihilation (creation) operator in the other A; there are only N such coincidences in the total of K2 erms so that corrections to Ed. (l.5) are only of order l/N with respect to the right hand side. Since it is necessary to use all the degrees of freedom of an n-phonon orocess to obtain a non-zero result in the linit, N m a + m, then the correction terms, being of order l/T, will vanish in this limit. One may say, therefore, that in the limit Q + m, the right hand side of En. (l.5) and the correct expression are equal except on a set of “measure zero" (0(l/ ) + O). The argument of the proceeding eiragraph can be simply illustrated by considering the one-phonon operator of the operator A3. Applying Ed. (5.5), one finds .3 (l) <_.’ > -'_\ - -3/2 *_+ * + *,+ \(il -1<%:E Q (Aiai + Ajai)(xjaj + Ajaj)(xkak + ikak), / . ,*+ -l '... -13 g o (Aiai T xiai) 2 9 (ii) (2“. + l) . ll NIH L4 The sum over j in the diagonal part will remain finite in the limit o + w because the measure associated with each point in — ° 3 A r 9 i . 0 - ' g~space lS o/(Zn) . kn the other hand if one JUSt multiplies out the first line of Eo. (A.6) and considers the phonon annihi- lation terms one finds . -3/2 * t * 1+ * + (l) -13 ‘ 1 (A.7) Zni + l) - o'llxilz} 62 The last term in the brackets is the correction from the commuta- tors, and it is readily evident t'at this va isnes as Q + m. Once Ec. (A.;) is established, it can be extended immediately to analytic functions of the Operator A: (0) The diagonal operator can be evaluated by applying Es. (fl.9) to the exoression d/dx (O) = <fl exn xfi>(0) to obtain the differential eauatien in the parameter x: g1'(0) = A(O)(O) (5-10) with the boundary condition: (O) = l at A = C. The solution of E0. (A.lO) is (ef>(0) = exp[% (O)] . (8.11) Thus the operator 0; of E0. (A.2) does have a diagonal part when E is a vector of the reciprocal lattice, a result which follows (0) is inde- )2>(0). 9 S itmediately once it is established tflat (exp if-ug> nendent of the cell index 2. Consider the coerator %<(fou it may be written W0) = e7) NIH 1 n T009, 5 <(£°%9 (fi/zaaaoc) f°gcc(e a CT? -'M L) (A.12) 63 m - -)2 : g :97] W01?” (2n L3u~ on + 1) (5-12) on or.“ . 3 m - >2 2 l 2 I d c g gap (n + l) 2 C (2n)3 amt? C? 2 which is independent of the cell index &. If we perform a thermal average for the lattice and invoke a Sebye model, this last expression becomes the neoative of the exhonent of the Debye-Valler factor, exp[-!J(f)];26 2 2 2 2 T 6/; (f) : % nzf ('61:)J L { 1 + %} ZdZ (13.13) .4 Z l kB(} 0 e -1 which in the cold lattice limit (TL + 0) 15 2 2 2 2 * ll(f) §fl_f_= .. é: . Tl— . EL. (Ami?) 8 MkBB Li Li” {\pe I4 Gne can see from Ec. (3.l4) that in the present case the Debye- Waller factor is essentially unity, because i = 5 is of the sate order of magnitude as the initial electron wave vector &; we g < 1150K l) ’b 'k are interested in electron energies such that h2k2/2m k * and where m /V << 1. Then .2 2 * (j . .1;— «i , (p.15) 2m kBe ‘ 3 2': .c'luu (In metals where the Fenni energy is much greater than kBe, ") the Debve-Valler factor is significantL7.) Lastly, the one- and two-phonon parts of tie interaction operator U [Eq. (55)] must be established. First, the one-nhonon operator 0' - o . 0k _" (O-K>(]) 5 X 12 h (l) : 1K. E t» e12 A e t 1 Q “ (/ l7) = 1 '2E: e / ‘)2 2"l 5(” “ l + + *(‘ /)} e-) n: rm m 'l 2,0qu , $7 171 m’ m o”, “ ’b”\; l 2 r \ T - = —— \ d / + F1 (:%I)]Y (ZDQng) [‘- ,t ,,] 9 One thus obtains the formula m 2: l = - , -” o. 2 + + U l ”K K e (K/_UwK) Ck-K CV (a_K + aK) ( .l8) k,K wiere the longitudinal polarization index is suppressed. Next, the two-nhonon operator U(2) EEEi(Qa/Q) 9K CE-K CK (O-K>(2) ' (7°19) Here <048(2) = _% §<(§'%2)2 (2) eig.K e-“ = -éo;:;;' (o/oa) ”x Kze')(%/CEQ) (£.zo) f) '5(R+Crt"r|$) + 2 aoca:'r'é(%'-Q’Kz)>( ) ‘0 2) where the <...>( notation is preserved in the last ecuation 65 as a reminder that the diagonal oart (a aT + a+ a ) has teen cp on op op taken out and rut in e'”. Tyen one finds ' -L« ”(2) = -§:E:(a§;) 9K K2 9 I Cl—K Cr k,K L “ ‘ (A.2l) E cos(K,cn)cos(K,q_'p') n. , x an C'F' Ev F = [a any «up (2.8) where F(x) is a non-negative, semi-monotonically increasinq function such that l J dF(x) = l . (C.9) 0 If we chose F(x) such that its first derivative exists, we can just as well work with the freouency distribution function (f.d.f.), f(x) 2 %;-, so that C(x) = f(x)o(x). The random A variable n has a variance with respect to the c.d.f. F(x) qiven by (C.l0) The method of random samplind is built on the followino result: If x],...,xN is a seouence of random nunbers drawn independently from the distribution F(x) (i.e., we have a random 7._ 1 sample of size of the variable x), then the random variable ,>g-) . (CM) in the limit V + w, approaches F with probability unity; the variance of the random variable 6F is 0 7 .1 n O'EaF] = OF /I‘. . (v.12) As samplino is carried out, it is a simple matter to calculate the guantities and /H ; (C.li) these are actually random variables on the same footing as gF, but one can expect that they will give at least a rough estimate , . . . 2 2 . . or the true statistical parameters CF and OEa ] . Tae quantity “F §[6 ] will be called the "empirical" standard deviation to “F contrast it with the theoretical standard deviation o[§ ]' F Tne decompoSition G(x)dx = g(x)dF(x) 15 of course largely arbitrary, and in practice one makes the decomposition for con- venience in calculation. So called "crude" honte Carlo corres- ponds to taking dF(x) = dx (that is, uniform sampling). Impor- tance sampling consists in choosing the c.d.f. F(x) so that (l) it is relatively easy in terms of computing time to generate random numbers x distributed according to it and (2) at the sane time F(x) concentrates x in regions that contribute most to the ouadrature. The importance sampling actually done for our two- 76 phonon power loss expressions was of a very rudiicntary kind. It would have been est to sample the variables h,z in the sum over the two-phonon ellipsoid from a distribution peaked around the lines of resonance R1[Fig. (5)], but to locate these lines involves the solution of ouartic ecuations with variable coefficients. Ve settled for uniform sampling of the variables u, h, z. The sampling of x was according to the exponential F] = exp(xd - x), and that of y according to F3 = (yZ/yuz)n with n = l, 4, 8 being tried to see which was best. As it turned out, the case n = 4 proved best. The integral Q [Eq. (C.l)] was reduced to an integral over the five-dimensional unit cube accordino to the following transformations of variables: v1 = exp(-x + xd) v2 = (”lud)<(1-Ud) 2 - v3 = (y /y.2)". n = l. 4. 3 ((3.15) u v. = h L? V5 = Z/Zn . Then 1 1 l l 1 Q = J dv] J dv, J dv J dv4 I dv5 exp(-xd)°(l-Ud) Q 1 01‘- 0 3 o 0 5 n i l-fi (C 16) (yu ) (y l x n O C(X,U,yghsz) where the extra factors in tke integrand are components of the Jacotian of the transformation. The variables v], vq, v4, v5 77 are obtained from the standard nifcrm random hunber function of the computer, and then the variatles x, u, n, 2 calculated from them according to the inverses of tie transr ions [Ec. (C.l3)]. Rather than sample according to F3 = (y /vu )n by taking the n-th root of a uniform random number v3 (root-taking is a relatively lengthy process for the comcuter), the program did this sampling by a rejection technique. 5ne obtains a distritu- tion according to the c.d.f. F(x) = xn by selecting the largest of a secuence of n independently generated uniform random numbers. At the end of this flppendix is a listing of a program, MSPUNEP, that estimates by random sampling not only the quadrature Eq. (C.l6) for intermediate-state two—phonon power loss but also the analogous quadrature for the four-fold 5- ft the same time, the statistics are accumulated in the form of fractional empirical standard deviations. The computation proceeds bv breaking the total number of points to be sampled into subsamples and outputting at the end of each subsample not only the estinates for that sub- sample alone but also the cunulated estim: as for all samelino up to that point. The input data are the number of subsamples to be taken (waD), the nurber of points per subsample (frfDSB), the cold-electron-threshold temperature (T57), the electron temperature (TE), thelvalue of PO (Gf”f), and the exponent n a - of the c.d.f. F = (y /yu2)n ( F3). 3 It is convenient, in sumnarizing the cuantities computed by the orooram, to introduce the functional L for the intermediate- state two-phonon quadrature: +-o L [A+ + X; + 2 a+A_ ] (C.l7) o _ w l V l 2n 1 l _ (29n7/‘) ‘ J dx I du J ”cw I an I 92 e'x x2 v 2x 2 xd u. 0 O 0 d” S 2 D D +r 2 2 2 l l + - O x a (a -h ) [ - + —- + 2 l 0 O A+ a_ A+A_ J so that the cuantity IC cf Ec (l35) 15 2 D g +F 7/2 IC=L[J-+l+2+'0].3 (C.lt?) + A_ A+A_ 4 flso we recall from the earlier paragraphs t'pt the substituticn D+ + D+ 3 (0+)z- /2 produces the "mean-value" four-fold quadrature. - - -n Then the cuantities that are output along witi their emoirical fractional standard deviation ("FSD" = s[;]/F) are these: for the subsaople: D D +r ‘ ycgggg = L [l +.l + 2.;:;;_Jl_] A+ A_ A+A_ z 1 1 ‘I.o B L [A+ + a_] D+D_+1‘O2 ”I TSB = L [2 ] A+A_ _ _ 2 (C.l9) W W +r ucsaa = L [% + l- + 2 +_'- 0 ] A+ 5_ «+A_ -l l 1 z I 4. p ;.1 T A A“- “'El’r, 1 : l r 1 ‘ L," ‘ A A for to: cumul‘teo : filial-{... ull|-‘. 1%! lllu .Illll. .{ ~ 2 L D +t mic-Tn = L [1 +1 + 2 + - a] A+ A- A+A NTND=L[l +1 A+ A ..JD-l-I‘d WIFT = L [2 _i;:__9_J A+A' (c.20) -— ’) DD+f“ l-IC4 =L[J__ +1_+2 +_-_o] + A- A+A_ wo4 -L[l +17] A+ - fi+5 +f02 HT4 = L [2 _'_ ] A+A_ The method of Gauss-Legendre numerical quadrature approxi— mates a one-dimensional integral of the standard form l 1=[ CV on) ((3.21) -l by the m-th order anproximant m I = 2:: f. E(v.) (C.23) m ._ l l i—l where the abscissas vi are the m real roots of the m-th degree . . . . . 38 Legendre polynomial and the 91 are the assoc1ated weights. Tables of abscissas and weights for orders up to m = 96 are avail- able.38’39 The extension to n dimensions is straightforward in principle, although the computing time recuired raoidly becomes unreasonable. Thus for the n-dimensional ouadrature 80 ”e may apply tLe one-dimensional Gauss-Legendre formula of orderrfi to the integration over v], the formula of order m2 to the v2 integration, etc. he then denote the collective order of the n-dimensional guadrature by the ordered secuence m = (m1, m2, ., mn), and the m-th approximant to I is . ) (C.22') After introducing a large, but finite, upper limit xu (= lOCO, nominally) in the x-integration of 5 [Eq. (C.l6)] we reduce the four-fold QUadrature to the standard form for the Gauss-Legendre method by the following transformation of variables: exp(-x) - exp(-xu) vl - exp(ixd) - exp(Lxu) ' ] [\3 v2 = 2 (u-ud)/(l-ud) - l (C.23) v3 = 2(y/yU) - l V4 = 21" '1 Then - - 2 D D +F L[-1— +1— +2 25-0] 4- A- A+13. ., x l y l 1 g 1 : (29117/‘1-1 I udx J u I udy J dh x e-x y5/‘ ”XS y2 x u 0 0 d d p w F} E +P 2 (u.(.t) 9 w '_ x50(502-“‘)2 1— +!— +2 +__0] A4. A_ A+A_ 9 7/2 -1 .1? 4 l l (2 N ) 2xS 2 [exp(-xd) — exo(-x )] I 1dv1(l-ud)J1dv2 v x 8l ,.-., .- 2 l l U +1“ 3 - 2 2 2 l l + - O X dV 3' g I (JV (5 "h ) [1: + =- + 2 —-—.—-..—~—-—-] ((3.24) )_1 3 o _] 4 o A+ A_ A+¢ The prograr "LDIFFfl (listing at end of this Appendix) approximates the functionals cf EC. (6.26) and outouts the aporoxinants as follows: - - 2 C +r wCTi = L [l- + l— + 2 +_-_ 0 ] A+ A_ A+A_ H = L [l- + l- (6.25) 13+ A- — - 2 D (l +I‘ Fl = L [2 —ie;er£L— . A+A_ The integrand is most variatle for the v4 integration, and it will become orogressively smoother with succeeding integrations. Conseouently, low order should suffice for the v1 integration and very hioh order will be reeuired for the v4 integration. Pro- vision was Wade for orders up to (24, 36, 96, 96), but the acproxi- mants aopeared to stabilize with increasing order at (l2, 24, 64, 96) and no higher orders were taken. The question of reliability of the nurerical estimates has two parts. First, how good is the mean-value reduction to a four- fold ouadrature? Second, was the order of approximation high enough that approximation schenes adequatelv sensed the sharply peaked nature of the integrand? The first ouestion, on a purely analytical approximation, arises in this discussion of numerical estimates because we chose to use the Gauss-Legendre nethod to approximate the four-fold ouadrature for the intermediate state two-phonon power loss at different temperatures. 82 4 study of the reliability was nade by comparing Gauss- Legendre and “onte Carlo results at a prctcty:e terrerature, T = l00 TS (z ll.5 deg K for n-type Ge). First, the :uestion of whether the order of the Causs-Leqendre method was adecuate was attacked by increasing the erer in stages. Because the sharply peaxcd integrand is Positive definite, one exnects that the arproximants Vlll increase with increasing order as the roints at which the integrand is evaluated are crowded closer together; then as the order increases still further, the abnroximants will tend to stabilize. This behavior was indeed observed; the aonroxi- mants increased with increasing order until the order (l2, 24, 64, 96) at which the approximant actually decreased about 20%. The last three approximants to 0 (in arbitrary units) with their orders follow: (3.26) (l2,24,24,96) (l2,24,36,96) (l2,24,64,96) order 0 = 7.4l 9.93 8.24 “ext, Monte Carlo estimates of Q and 0 Here made for saroles of uo to l05 ooints in subsamples gf 4000 points for various methods of sampling the variable v5 (still for T = 100 Ts). From the related criteria (l) of least fractional standard devia- tion at the end of the sampling and (2) of least fluctuation of the estimator as samplieg oroceeded (aoplied to the estimator for thelfive-fold euadrature Q), we concluded that the samoling 2 . . .. F3 = (y /yu )4 was best. The results of thlS estimation (same units as Eq. (C.26)) follow: 83 I.) = 5.71 (i 361) (C.27) II 7.35 (t 44%) The errors in parenthesis are the probable fractional error (p.f.e.) obtained from the empirical fractional standard devia- tion (f.s.d.) by the usual formula (p.f.e.) = 0.C74Ex(f.s.d.). Thus we see from Eqs. 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