Ax Ap >h. jclé_is_the_phase’ velocity of the wave packet meets -energy.and momen- je inferred from (6.5) eee = tT jve= , aE _12E op =form for vg can be obtained from the relation of the energy E to the “frequency w, contained in the time-dependent part of y (i.e. jiat)), which is E= hw: %* discussion of quantum mechanics can be found in Ref. 22}. g= E The Effect of the Lattice Periodicity on the Allowed States turning to the atom, let us now see what happens to the allowed energy fa system of atoms, arranged periodically as in a crystal lattice. The outer is of each atom in the crystal are now affected by the outer electrons. of sighboring atoms. The whole crystal becomes a single system.in which Pauli félision principle holds:-no-two glectrons in the same system can have the Merquantum state. The discrete energy states of the solitary atom therefore ~ fi the crystal to form-a virtual. band of permitted energy states; Fig. 6.3

| much simplified potential model, known as tHe Kronig—Penney model, for & one-dimensional crystal as shown in Fig. 6.4. Astcell : 2ndcell + Figure 6.4. The Kronig-Penney periodic potential model (E= the energy of the electron). ya ts teat ~E, representing the energy.of the electron, is an eigenvalue of the solution sof the wave equation. ¥(x) is the potential to be used for that solution: : “spetiodicity is that of a lattice with a period / representing the unit cell Jeng ia aera arate aes Seep eet ws " Scanned with CamScanner/GONDUCTORS AND ELECTRONIC DEVICES Chap. 6 4 n=1,2,.... Tad fled , 3 r ring form or that it has crystals identic: I to it pn tated mathematically, this means that if there are N atoms our crystal, then .y must Tepeat itself after a distance.of Mi Yx+N/)=y(x). Uxtnl=Vx), ilricts the validit ¢0, We also kno: given by (6.3) 'y of our solutions to the bulk of the crystal and not to w that our wanted solution for w must degenerate into for a free electron if Vo-+0 in Fig. 6.4. a % . was ett ( Yo-70y Ot corn: Aes fuser" dis we. ith a period of /and may be complex. We know from ‘0-0 U(x) must become a constant and a is imaginary. The ity condition (6.12) requires Ue + ND) exp [ae +ND)]= U(x) exp (ax). ) itself is periodic in / we must also have exp (aN/)=1 ot : 2naj Me 2nn g2nn. aaa lon (6.13) will then become WV) = Uts) exp (jks). Ve equation itself will have a simpler form if the relationship between n energy E and its momentum pi=Aki is used (k1 is not k): AMP 7 2m Also define a new quantity Ke which measures the difference between éntial maximum Vo and our electron energy E in Fig, 6.47 Scanned with CamScannerTHE EFFECT OF LATTICE PERIODICITY 67 ' : Using k, ky and Kp the wave e 4 quation for the left-hand part of the first cell in - 6.4 is reduced to a Gathy=0, o Vo, but Ka, defin ary. Let us replace it, therefore, ©: E> Von. “ke +7 nal2,... ‘Taking the lowest allowed energy band, one can find for each value of Eacorresponding value of k by using (6.24) and so plot the graph of Fig, 66{a), which is also called the dispersion curve. The first band, which covers the range —n/i- Since the left-hand-side of (6.24) and (6.2 ions belonging eby + 2nz, itis customary and convenient to shift the curve sections belonging y to the second and upper Brillouin zones into the first, along the k-axis, by called the reduced-zone | f 2a/l. This yields Fig. 6.6(b) which is ed-z0! Thus, the curve sections marked @ and in Fig. @ a[tand. +2n/! respectively to APP and 8! ing each corresponding an be populated ntain up to 2N@ 5) is unchanged when k/chan''?5 ¥ ear as Tneach of the Brillouin zones, k has N distinct values, Eto a different allowed energy state. Since each enersy St9i ‘by two electrons with opposing spins, each zone pay CO electrons. o—— Allowed band 4N Filled states | 1 aN States ‘2N Electrons ‘Actual spacing ~ Interatomic spacing —> |. (From R.B. Adler, A.C. “FIGURE 2.25 Development of energy bands in a diamond crystal. (1 A “Smith, and R. L. Longini, Introduction to Semiconductor Physics, SEC; vol. 1, p. 78 Copyright © 11964, Reprinted by permission of John Wiley & Sons, Inc., New York.) Scanned with CamScanner“KP. Mone Im onder to have a nontvial solution fr (4.39) and (4.40), the determinant of the coefficients ofA and B in bots equations mast be sl equal tO, which yields [e- costoa = 1) incon (hid = 2) sina * fo + €-"*Gk sinkga — cos koay} |"° aan Solving (441), one obtains coska ) sntga + cosa 4a where P = mai id Cis defined by co am [fren] ca Equation (442) has ral solution forthe election wave vector kif the value ofthe righthand side of (442) ies Between —1 and +1. Figure 4.2 shows a plot of the righthand-side term of (442) versus ko fora fixed value of P. Its noted thatthe solution of (4.42) consists ofa series of alternate allowed and forbidden regions, 4 ALLOWED REGION FORBIOOEN REGION Fioune-4.2, A plot of the magnitude of the right-hand side of (4.26) versus foa for 8 ‘one-dimensional periodic ltice. Scanned with CamScanner =e ren: Anyww 44. Tne Krong-Remney Model 71 "vith the forbidden reions becoming narrower as the value of Kaa becomes IrBer We now discuss the physical meaning of Figure 4.2 Ve . lated to the bir i yf fe wave sel af {tse arth energy ofthe electrons sO TS ven by (4.31), On eater hand Pa infty, ten the en te elecironsbecoesaUEpeafent ofA Thisconesponds tothe ase ofan slate values ofeleioneneezy a Jeter inf lindas anroaches init. which implies 0 _rot- Thos the electron energy levels re quantized or his ase, and are given by oat 2,3... Inthis ease, the electrons are completely bound tothe atom, then the energy band = B= where and theirenergy levels become discrete. IFP asa finite al Sseheme of electrons is characterized by the alternate allowed and forbidden enersy regions, a shown in Figure 4.2, The allowed regions are the regions in which the ‘magnitude of the right-hand side in (4.42) lies between — and +1. while the iude ofthe right-hand side is forbidden regions are the regions in which the ma ‘greater than 1. It is further noticed from this figure that the forbidden region be ‘comes smaller and te allowed region becomes larger as the valve of kya increases. Figure 4.3 shows the plot of electron energy a5 a function of P. As shown in this figure, the origin, where P = 0, corresponds to the free-electron case, and the ‘energy of electrons is continuous in -space. Inthe region where Phasafinite value, E Ficus 43. The energy versus P fora one-dimensional (1-D) periodic late. Scanned with CamScannerEnergy Band 724, nergy Band Theory 5 <2n/a ale 0 aa ‘2n/a Ficuan,4.4. The energy band diagram fora one-dimensional (I-D) periodic potential. Reidel Zone same the energy states of electrons are characterized by a series of allowed (shaded area) and forbidden regions. As P approaches infinity, the energy of electrons becom discret (or quantized) wiveh coresponds fo the i ape pang a = 2 ased on the Kronig-Penney model discussed above, a schematic energy band diagram for the I-D periodic lattice is illustrated in Figure 4.4, which is plot- ted in the extended zone scheme. The values of the wave vector k are given by cnn eee ATOMEITET = nna. The fst Brillouin sone, known as he ni cell ofthe reciprocal atic. deine Drs ave ecors wih ales vary “or the energy band diagram i atthe zone boundaries where f= Aumr/a-and I= 1230, ere edie un egy Geert, an aia reset WA ea eet nd the wid of erbidden HFihorenerey band dagram (:e- 2 ve 0) ploted wihin te fist Brillouin zone, then i sealed the relocal zone scheme. The reo re scheme (ic.,-/a < k < m/a) is more often used than the extended zone scheme because foranytalacs ofthe wave vector ¥ in he hightF ZONE ree COTSSponding wave Wecor Fin he fist Brillouin cone, and ences easier o deserbe he lee ton ates and the rested physi properties using the redaced zone scheme, ‘The relation betwgga A” and K can be obtained via the translational symmetry pat — sonar” we Scanned with CamScanner144, The Kronig-Pemey Model 73 - —_aae, oRBIoDEN GAP silicon atom, and (b) 8 one= Froune 4.5. (a) Energy band diagrams for an isolated imensional silicon late. operation, which is given by £2nx/a, 3 (445) - 7 in sr resent he wae vector in th hgh es, kis the comespondlng re ee : ete aowand a denotes the lattice wave vector in the frst Brillouin zone, n = 1,2,3. rasta Constant ofthe crystal. Thus, the reduced zone scheme contains all the information relating tothe electron sats in the erystallne solids. ~ ‘The Kronig-Penney model described above can be employed to construct the ray toned gino an nad sicon son and a arial -D Devoe silicanatice, Figures 4.5a and show the discrete 7B oF = an isolated silicon atom and the energy band diagram for a 1-D silicon latice, respectively. As shown in Figure 4Sa, electrons inthe 3s and 3p shells are known as the valence electrons, while electrons in the 1s, 2s, and 2p orbits are called the core electrons. When the valence electrons are excited into the conduction band, the conductivity of a semiconductor increases. I is noted that as the spacing of silicon atoms reduces to a few angstroms, the diserete energy levels shown in Figure 4.5a broaden into energy bands, and each allowed energy band is separated by a forbidden band gap. In this energy band scheme the highest filled band (ie 3sand 3p states fr silicon) scaled the valence band, while the lowest empty band is called the conductign band. Ina semiconductor, a forbidden band gap always a exists between the conduction and the valence bands, while in metals the energy bands are usually continuous. For most semiconductors, the band gap energies may vary between 0.1 and 6.2 eV. The main difference in the energy band scheme between the 1-D and 2- or 3-D crystal lattices is that in the 1-D case, an energy discontinuity always exists = atthe zone boundary, and hence the energy band is characterized by a series of alternate allowed and forbidden bands. However, in the 3-D case, the energy band discontinuity may or may not exist, since the values Of ae at the zone boundaries along different crystal orientations may be different, as is clearly illustrated in Scanned with CamScanner74 4. Energy Band Theory Fioue 46. Energy band din: {rams inthe reduced zone sche for a three-dimensional (3-D) Fectangularlatice, assuming a bee, Figure 4.6. This will lead ‘0 an overlap of energy states at the zone boundaries and hence the possible disappearance ofthe band gap in the 3-D energy band diagram. It should ‘be mentioned that the electron wave functions in a 3-D periodic crystal lattice are of the Bloc type and canbe described by (4.17). Inthe next section we Shall describe the nearly tree electron (NFE) approximation for consiucting the [SARBY band scheme of vatence electrons in a semiconductor. I is noted that the proximation can provide only a qualitative description of the energy band fehemes for the valence electrons in a3-D crystal lattice. To obiain true enery band structures for semiconductors and metals, more rigorous and sophisticated methods such asthe pseudopotential and orhogonalized plane wave methods must be usd in caleulats ofthe energy band strictures for these materials. 4.5, The Nearly Free Electron Approximation = In Section 4.4, it was shown that when the value of P in (4.42) is small compared {0 kya, the behavior of electrons in the I-D periodic lattice should resemble that Of the free-electron case, in which the energy band is continuous in k-space. In a semiconductor, the outer-shell valence elecirons are loosely bound to the atoms, and the effect ofthe periodic erystal potential on the electron wave functions can be treated as a perturbing poteitial. In tis case, the nearly fee electron (NFE) approximation can be applied to deal withthe valence electrons. Jn order to apply the NFE approximation toa3-D crystal lattice, the periodic po- tential must be treated as asmall perturbation. In doings, one assumes that the pers {uring potential is small compared tothe average energy of electrons. The problem an then be solved using the quantum-mechanical stationary perturbation theory, From wave mechanics the stationary perturbation method can be devived using the first: and second-order approximations inthe time-independent Schrodinger Ee Scanned with CamScannersont 47, Th ey bend ar t ins ude shoving ny of ey one wma Zz FORBIODEN GAP ‘ALLOWED BAND ‘of the periodic crystal potential, In with increasing value of the Fi Schematic energy band diagram approximation. Is interesting to not NFE approximation is similar to that gure 4.7 shows the seduced zone scheme derived from the NFE thatthe energy band scheme derived from objained from the Kronig-Penney model for the LD periodic lattice, Futhermore, the electron wave functions derived fing {he NFE approximation inded sty the Bloch condition. The sul show tor, Ge cPeatthezonchoundaries where an energy diseontinuty (oraband gap) occurs, the energy band scheme derived from the NFE approximation resembles ther of the free-lectron case (with v(K,,) = 0) discussed earlier, Fre sPbroximaton preseniedin his section provides a quaiative descrp- {onotdhe electronic states forthe outer shell valenes electrons of3-D eystl la band structures fora eal erystal, amore the pseudopotential or the orthogonal. ved in the energy band calculations, Both ray band calculations of semiconductors. tice. However, inorder to obtaintrue enctgy ‘rigorous and sophisticated method, such as ized plane wave method, must be employ ‘methods have beenayidely used inthe en ‘on using the tight-binding approximation or is (LAO) method is described. The LCAO ‘Bloch, soften used tocalculate the electronic ‘alline solid. It is generally known that core ‘method, which was fist proposed by Sates of cote electrons in a eryst Scanned with CamScanner376 Biguie 16.8: /(€) asa function ote ir P= Bop tana for P = 5 (bottom figure), nse; Sriionosl bas vision on veo a eS —* -1 which represent the energy levels of a particle in an infinitely deep potent (Gee Section 6.6.1). In Table¥ 16.1 and 16.2 we have tabulated the values of & where f (€) —1.-From the corresponding values ‘of E? we ch réailily calculate the ener between successive bands from the following relation’ % where we have used m 3 kg, A= 1.0546 x 10-™ Js and, 5x 10"!°m. Itmay be seen that the band gap increases with P.. onabhichol bas bs vilt to 16.6 Problems 10 94) 5. Problem {6:1- In the numerical example discussed in Section 16.3 calculat jvalue of the:tunnelling time 7' (in seconds) for.a= 2A and a = SA: Problem 16.2 ‘Numerically solve Eqs (21) and (22) for ‘and show thatthe splitting ofthe energy levels become smaller, Problein 16.3 For the Krénig-Penney model discussed in Section 16.5, the band gap energies (in electron volts) for P = 2 and P = 20. [AnsiyéssSFor P= 2, the band gap energies are approximately 0.46 eV, 1. hee > ~ 116 eV, 13% Scanned with CamScanner