Appendix

Table A.I Bulk properties of semiconductors at room temperature: lattice constant ao. width w"d and Wg; of direct and indirect band gap, respectively, static dielectric constant 6b and its electronic contribution 600 and plasmon energy hwp [Landolt-Bornstein 1982, Strite and Morkoc; 1992]

Semiconductor ao w"d Wg; 6b 600 hwp [nm] [eV] [eV] [eV]

C (diamond) 0.357 6.5 5.5 5.7 Si 0.543 3.37 1.12 11.9 16.9 Ge 0.566 0.81 0.66 16.2 16.0 f3-SiC 0.436 6.00 2.20 9.72 6.52 22.5 AlN wurtzite 6.2 8.5 4.84 AlP 0.546 3.62 2.45 9.80 7.54 AlAs 0.566 3.03 2.15 10.06 8.16 AlSb 0.614 2.21 1.62 12.04 10.24 14.8 GaN 0.453 3.3 (6.25)

wurtzite 3.39 9.5 5.35 GaP 0.545 2.78 2.27 11.11 9.11 16.5 GaAs 0.565 1.42 1.81 12.85 10.9 15.7 GaSb 0.610 0.75 0.80 15.69 14.44 InN 0.498

wurtzite 1.89 (8.4) InP 0.587 1.34 1.84 12.56 9.61 13.8 InAs 0.606 0.35 1.21 15.15 12.25 13.8 InSb 0.648 0.18 0.62 16.80 15.68 12.8 ZnS 0.541 3.56 4.38 8.00 5.14 ZnSe 0.567 2.70 3.47 8.33 5.9 ZnTe 0.610 2.26 9.86 7.28 CdS 0.558 2.50 4.30 8.42 5.27 CdSe 0.605 1.9 3.4 9.3 6.1 CdTe 0.648 1.43 3 10.23 7.21 y-CuCI 0.541 3.17 (7.8) 7.9 3.61 y-CuBr 0.569 2.91 7.9 4.06

399

Table A.2 Effective densities of states Nv and Nc in bulk valence and conduction bands, respectively, at room temper­ature. Effective masses are taken from Landolt-Bornstein [1982]

Semiconductor Nv Nc [cm- 3 ] [cm- 3 ]

Si 1.82 x 1019 2.79 X 1019

Ge 5.99 x 1018 1.05 X 1019

GaP 1.16 x 1019 1.15 X 1019

GaAs 7.55 x 1018 4.53 X 1017

GaSb 2.88 x 1017 5.41 X 1018

InP 1.27 x 1019 4.93 X 1017

InAs 6.66 x 1018 1.11 X 1017

InSb 8.34 x 1018 3.71 X 1016

Table A.3 Hartree-Fock atomic term values -C, and -Cp of outer s- and p-electrons, respectively, in eV and covalent radii rcov of some of the elements in nm. Data from Fischer [1972] and Sargent­Welch Table of Periodic Properties of the Elements [1980]

H1 13.5

'He2 12497

75J532 10093 ---

Li 38e I. B 5C 6N 70 8F 9 Ne 10 5.34 8.41 13.46 19.37 26.22 34.02 42.78 52.51

5.79 8.43 11.07 13.81. 16.72 19.85 23.13 0123 0.106 0088 0077 0070 0073 0064 No 11 Mg 12 Al 13 Si 11. P 15 S 16CI 17 Ar 18

4.95 688 10.70 1479 19.22 2401 29.19 34.75 3.84 5.71 7.58 9.54 11.60 13.78 16.08

0154 0140 0126 0.117 0.110 0104 0099 K 19 Co 20 Cu 29 Zn 30 Go 31 Ge 32 AS 33 Se 34 8r 35 Kr 36

401 5.32 7.72 7.96 11.55 15.15 18.91 22.86 27.00 31.37 2.37 4.02 5.67 733 8.98 10.68 12.43 1426

0.203 0174 0.135 0131 0.126 0.122 0.118 0.114 0.111 Rb 37 Sr 38 Ag 1.7 Cd 1.8 In 49 Sn 50 Sb 51 Te 52 I 53 Xe 51.

3.75 4.85 7.06 7.21 10.14 13.04 16.02 19.12 22.34 2569 2.61 3.99 5.37 676 8.14 9.54 10.97 12.44

0216 0.191 0.152 0148 0.144 0140 0.136 0132 0.138 Cs 55 8056 Au 79 Hg 80 Tl 81 Pb 82 Bi 83 Po 84 A,t 85 Rn 86

3.36 4.29 6.98 7.10 9.82 12.48 15.19 17.96 20.82 23.78 2.67 3.95 5.23 6.53 7.79 9.05 10.33 11.61.

0235 0198 0.134 0148 0148 0.147 0146 0.146 0.145

400

Tab

le A

.4

Tab

le o

f ato

mic

ele

ctro

nega

tivi

ties

aft

er P

auli

ng [

1939

/196

0] a

nd M

iede

ma

and

cow

orke

rs [

1973

, 19

80]

HI

~

220-

t!L

I

Li

3 B

e

I. B

5

C

6N

7

0

8F

9

Ne

10

0

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1

57

20

1.

2.5

5

301.

3.

1.1.

3.

98

2.8

5

42

0

4.75

6

20

7

00

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a

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12

AI

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1

Ar

18

09

3

1.31

16

1 1

90

2.

19

2.5

8

3.16

2

70

3

45

4

20

4.

70

4.7

3

K

19

Ca

2

0 S

c 21

Ti

22 V

2

3 C

r 21

. Mn

25

Fe

2

6

o 27

Ni

28

Cu

29 Z

n 3C

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31

Se

32 A

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31)

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63

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2

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2

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2

55

3

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46

5

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49

3

51

0

52

0

45

5

41

0

41

0

45

5

48

0

Rb

3

7 !S

r 3

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39

Zr

1.0

Nb

1.1

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1.2

Tc

1.3

Ru

1.1. R

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1.

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1.7

Cd

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82

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2

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24

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3.2

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3.4

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40

0

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4.4

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4.0

5

39

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55

Ba

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Hf

72 T

a 7

3 W

71

. Re

75 O

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61

r 77

Pt

78-A

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79

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80

TI

81

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82

Bi

83 P

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. lAo

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0

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89

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2.33

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5.6

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Gd

61

. Tb

65 D

y 66

Ho

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101

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295 Zunger, A. (1981): Phys. Rev. B 24, 4372 Zur, A., McGill, T.e., Smith, D.L. (1983): Phys. Rev. B 28, 2060

431

Index of Reconstructions and Adsorbates

AIAs(110)-1 x 1 106 AIP(110)-1 x 1 106 AISb(110)-1 x 1 96,98

C(111)-2 xl 127,191-195 C(111):H-l x 1 191, 193 CdS(110)-1 x 1 127 CdS(lOIO) 96, 106 CdSe(10IO) 106 CdSe(110)-1 x 1 127 CdSe(10IO) 106 CdTe(110)-1 x 1 17,96,98,106,109 CuBr(OOI)-c(2 x 2) 146 CuCI(llO)-1 x 1 106, 109

GaAs(OOI)-- c(2 x 8)/2 x 4-0( 132, 141, 148f. - c(2 x 8)/2 x 4-f3 132, 139 - c(2 x 8)/2 x 4-y 132,140 - c(4 x 4) 132, 141, 144, 149 - c(6 x 4) 131 - c(8 x 2)/4 x 2 131, 141, 147, 149 GaAs(llO)-1 x 1 17,95-129 GaAs(llO): - Ag 266, 286f. - Bi-l x 1 315 - Br 18 -CI 292f. - Cs 262, 286f. - H 281f., 291 - In 263,265 - Mn 267 - Sb-l x 1 311f. GaAs( 111)-2 x 2 2261T. GaAs(IH)­-2x2228 - (ji9 x ji9)R24S 230 GaP(110)-1 x 1 17,96-129 GaP(llO):Sb-l x 1 311 GaSb(110)-1 x 1 17,95,96, 115, 129 GaSb(110):Bi-l x 1 315 Ge(OOI)-- 2 x 1 17, 1511T., 163f.

- c(2 x 4) 165 - "1 x I" 152 Ge(OOI):ln-2 x 2 302 Ge(110) 163 Ge(lll)-- "1 x I" 215 - ("1 xl"), 153,220 - 2 x 1 17,73,127,163,220 - c(2 x 8) 70, 127, 163, 1961T., 220 Ge(lll): - Ag-(j3 x j3)R30° 252f. - As-l x 1 304f. - Au-(y5 x y5)R30° 255f. - Bi-(j3 x j3)R30° 308f. - Br-l x 1 241 - CI-l x 1 241 - H-l x 1 244 - 1-2 x 1 241 - Sb-(j3 x j3)R30° 308f.

InAs(110)-1 x 1 17,95-129 InAs(llO): - Bi-l x 1 315f. - Ga 262,264 InP(llO)-1 x 1 17,95-129 InP(110): - NHrl x 1 299 - Sb-l x 1 311 InSb(OOI)-- c(4 x 4) 145 - c(8 x 2) 145, 148 InSb(110)-1 x 1 17,95-129 InSb(III)-2 x 2 228

Si(OOI)-- 2 x 1 17, 127, 151f., 163, 165 - c(2 x 4) 163, 165f. Si(OOI): - AI-2 x 1 302 - As-2 xl 304 - CI-2 x 1 239,292 - F-2 x 1 232f.,278 -Ga-3x2,-2x2,-lx2301

433

Si(OOI)- (Contd.) - H-2 x 1 161, 241f., 270, 278, 340 - H-l x 1 241f. - In-3 x 2, -2 x 2, -1 x 2 302 - K-2 x 1 239, 249f. - Li-2 x 1 249f. - Sb-2 x 1 304 Si(111)­-"lxl" 215f. - 2 xl 17,73,125,127,163,171-191,194,

215-225 - 5 x 5 213,222 - 7 x 7 7, 10, 16, 17, 125, 127, 163,

196-214,215-225 Si(111): - Ag-3 x 1 256 - Ag-6 x 1 257 - Ag-(V,) x V,))R30° 252f. - Al-(j3 x j3)R30° 296f. - As-I x 1 304f. - Au-(j3 x j3)R30° 255f.

- B-(jl x jl)R30° 299 - B-()3: x )3:)R30o:NH3 299 - Bi-(j3 x j3)R300-a and -fJ 308f. - Br-tl(7 x 7) 241 - Cl-tl(7 x 7) 239

434

- Cs-3 x 1 256 - Cs 277,284 - Ga-(j3 x J3)R30° 296f. - H-l x 1 244,340 - H-tl(7 x 7) 243 - l-tl(7 x 7) 239 - In-(j3 x j3)R30° 296f. - Na-3 x 1 256 - 0 316-328 - Sb-(j3 x j3)R300-a and -fJ 308[. Si(311)-3 x 2 163 Si(311):H-(3 x 1) 270 SiC(OOI)-- 2 x l/c(4 x 2) 112,168 - c(2 x 2) 168 - 3 x 2 168f. - 5 x 2 168f. SiC(OOOI) 127

ZnO(1010) 106, 112 ZnS(110)-1 x 1 106,127 ZnSe(OOI)-- 2 x 1 133, 146 - c(2 x 2) 133 ZnSe(llO)-1 x 1 106,127 ZnTe(llO)-1 x 1 106, 120, 127

Subject Index

Acceptorlike - interface states - surface states Accumulation layer

79 46, 290f.

24,25, space-charge layer

see also

Activation energy for gas adsorption 234, 320 Adatoms on clean surfaces 199,202,205 Adatoms on {Ill} surfaces in - H3 sites 200f. - Ss substitutional sites 299 - T4 sites 200f., 297 Adatom-induced core-level shifts 268f. - charge transfer from 271,272 - electronegativity concept of 49, 271 - table for GaAs(\10) 273 - table for Si and Ge 270 Adatom-induced ionization-energy

change 274f. Adatom-induced surface dipoles - depolarization of 275 - dipole moment of 49 - electro negativity concept 49 - ionization-energy change by 274f. - LCAO polarity 49 - surface-molecule approach, and 49 - ViGS model of 52 Adatom-induced surface states 33, 46, 48,

284f. - acceptor character, of 48, 290f. - chemical trend of 287f., 294 -- dispersion curves of 246, 298, 307 - donor character of 49, 284f. - Fermi-level pinning by 18,286,291,292 - inter-atomic matrix elements 47 - occupation of 54f. - surface-molecule approach and 47f. - tight-binding approach of 46 - type of 48 Adatom sites - cave site on {IOO}-2 x 1 surfaces 250 - H 3 site on {11l} surfaces 200 - ontop sites 238, 256f. - pedestal site on {100}-2 x 1 surfaces 250

- Ss site on {111} surfaces 299 - T4 site on {111} surfaces 200, 201, 254,

308f. Adatom vibrations - chemical shifts 343 - hydrogen on silicon 247, 342f. - hydrogen on III~V compounds 281 - oxygen on silicon 321f. Adsorbate orientation 240 Adsorbate vibrations see Adatom vibrations Adsorption, dissociative 232f. - potential energy diagram for 235, 237 - precursor-mediated 225f., 317 AgjSi(l \1) Schottky contacts - interface dipole 371 - 1 x 1 interface structure 369f. - "7 x T' interface structure 369f. Anderson's rule 388 Atomic term values, table AJ Average bond energy 395 Average hybrid energy 91

Ballistic electron emission microscopy see BEEM

Band gaps, bulk (table) A.I Band gap, dielectric 36, (table) 39 Band-edge discontinuities at semiconductor

heterostructures 89, 387f. - Anderson's rule 387f. - charge neutrality levels, from 389f. - effect of interface dipoles 389, 39lf. - influence of strain 4 Band-edge offset see Band-edge

discontinuities Band structure, complex 3lf. Barrier heights in metal-semiconductor

contacts - chemical trends of 81 - definition 75 - dependence on electronegativity

difference 81,87, 359f. - determination 349 - diamond, chemical trends 368

435

Barrier heights in metal-semiconductor contacts (Contd.)

- flat-band 310 - GaAs, chemical trends 357, 360 - GaP, chemical trends 362 - influence of interface defects on 86f., 364 - InP, chemical trends 361 - MIGS-and-electronegativity model 80f.,

357 - Schottky-Mott rule 349 - silicon carbide, chemical trends 377f. - silicon, chemical trends 361 - slope parameter of 84,375f. - zero-bias 309 - zero-charge-transfer 79 Bauer's criterion 260,344 BEEM 352 Binding energies of core levels 97 Bond energy, average 395 Bond polarity and electronegativity 49 Branch point of the virtual gap states 39

(table) see also Dielectric mid-gap energy Buckling model of Si- and Ge(l1 1)-2 x I 173 Bulk properties of semiconductors (table) A.l

Capacitance-voltage characteristics of Schottky contacts 352

Cation-exchange reactions 267 Cave site on {100}-2 x I surfaces 250 Chains, conjugated see Seiwatz model Chains, tilted: - antimony on GaAs- and InP(110) 312 - cleaved Ge- and Si(lll) surfaces 184f. - correlation with bulk ionicity 108 - Coulomb force 109 - dispersion of surface states 116, 176 - GaAs(110):H-I x I 283 - Ge(lll)-2 x I 181f. - Si(111)-2 x I 181f. - Si(111):Ag-3 x I 259 - structural parameters 106 (table) - (110) surfaces of compounds 103f. - untilting by adatoms 283 - III-V(110)-1 x I 93f. - III - V(110):Sb-1 x I 313 Chains: un tilted - diamond (111)-2 x I 191 Charge distribution in ~ inversion layers 30 - surface states 33, 36 Charge neutrality at reconstructed surfaces of

elemental semiconductors 165 Charge neutrality at surfaces and

interfaces 4,54,76,87, 165, 348, 358, 364, 393 see also surface charge neutrality

436

Charge neutrality level 79f., 364 see also branch point of the virtual gap states

Charge transfer - ada tom-induced core-level shifts,

from 272,274 - ada tom vibrations, and 343 - compound semiconductor surfaces, at 96,

98 (table), 100 - electronegativity concept of 49, 99, 272 - elemental semiconductor surfaces, at 162,

190,210 - metal-semiconductor contacts, in 80f.,

357 - semiconductor bulk, in 98, 100 (table) - surface-molecule model, and 268 Chemical shifts see Adatom-induced

core-level shifts, adatom vibrations, core-level shifts, surface core-level shifts

Chemisorption see adsorption Classification of surface structures 102 Clean surfaces, preparation by - cleavage 93, 171 - decapping 133 - desorption of hydrogen 197 - desorption of oxygen 133, 168, 197 - molecular beam epitaxy 131 Cleavage-induced surface states 115, 117, 182 Cleaved surfaces of - compounds 93f. - elemental semiconductors 171f. Complex band structure 33f. CNL see charge neutrality level, branch

point, dielectric mid-gap energy Conjugated honeycomb-chained-trimer

structure 255 Core-level binding energies 97 (table) Core-level shifts see also surface core-level

shifts, ada tom-induced core-level shifts - charge transfer from 271f. - point-charge model of 98 Corner hole in - Si(lll)-5 x 5 223 - Si(111)-7 x 7 198,202 Coulomb interaction of ada toms 240, 283,

313 Covalent radii, table A.3 Current-voltage characteristics of Schottky

contacts 350f.

Dangling bonds 43f., 46 (table) DAS model see Dimer-Adatom-Stacking

fault model Debye length - extrinsic 23 - intrinsic 23

Debye-Waller factor 124,167,217 Decapping of As:GaAs(llO) surfaces 133 Defect model, unified 364 Defects - fabrication-induced 364f. - influence on barrier heights 88 - metal-semiconductor interfaces, at 86,

364f. - metal surfaces, at 86 Dember elTect 67 Depletion layer 14, 25f., 56, 66 see also

space-charge region Desorption pattern 240 Desorption temperature - hydrogen 197 - oxides 134, 168, 197 Diamond (111)-2 x 2/2 xl - ionization energy 127 - n-bonded chains 192 - preparation 191 - surface states 194 Dielectric band gap 36, 39 (table) Dielectric constant, table A.1 Dielectric mid-gap energies 45 (table) see

also Branch point of ViGS, Charge­neutrality level

Dielectric work function 83, 85 Dimers on {l OO} surfaces - adatom dimers on {100} surfaces 30H.,

304 - energetics of formation 135 - missing dimers 137f. - symmetric dimers of ada toms 300, 305 - symmetric dimers on compounds 135f.,

168 - tilted dimers on elemental

semiconductors 15H. - untilted 145f., 300, 305 - untilting by adatoms 240,241,278,300,

305 Dimer-adatom-stacking fault model of - Si(111)-5 x 5 224 - Si(111)-7 x 7 202 Dimer-on-dimer model of adatoms on {l00}

surfaces 300, 305 Dissociative adsorption Donor-like surface states Double bonds 187f.

232f. 49, 284f.

Elastic moduli 137 (table) Electron affinity, definition 14 Electron counting rule 145 Electronegativity - correlation between dilTerent scales 80 - correlation with work function 83

- Miedema's scale, table A.4 - Pauling's scale, table A.4 Electronegativity and bond polarity 49 Electronegativity concept of charge

transfer 49, 99, 272 Electrostatic interaction - of adatoms see Coulomb interaction of

adatoms - of dipoles see Topping model Epitaxial continued layer structure 313 Epitaxial ontop structure 315 Escape depth of electrons 9 Excess of mobile carriers at surfaces 65

Fermi-level pinning 15f., 17 (table), 57f., 148, 284f.,290f.

Field-assisted oxidation 326f., 330 Field elTect of surface conductance 13, 73 Field-elTect mobility - definition 73 - table 73 Frank-van der Merwe growth mode 260,344 Fuchs-Kliewer surface phonons 111, 112

(table), 281 (table)

Gallium arsenide (001) - core-level shifts 143 - dimers 135 - Fermi-level pinning 148, 149 (table) - ionization energy 149 (table), 150 - missing dimers 137 - preparation 132 - reconstructions 132 Gallium arsenide (110) - core-level shifts 96 - core-level spectra 95 - dispersion of surface states 116, 121 - electron energy-loss spectrum 261 - ionization energy 127 - quasi-particle band structure 121 - STM images 122 - surface phonons, dispersion of 113 - surface structure 102, 106 (table) - valence-charge distribution 101 Germanium (111)-"1 x 1";:=(1 X 1")b

transition 220 Germani um (111)-2 x 1 - core-level shifts 163 - dispersion of surface states 176 - Fermi-level position 17 - ionization energy 128 - surface phase transition 165 - tilted chains 184f. Germanium (111)-c(2 x 8) - atomic arrangement 205

437

Germanium (111)-c(2 x 8)(Contd.) - core-level shifts 163,210 - dispersion of surface states 209 - energetics of reconstruction 188 - Fermi-level position 17 - ionization energy 128 Germanium (111)-c(2 x 8) - surface phase transition 215 Growth kinetics of metals on

semiconductors 249, 259f. Growth modes - Bauer's criterion 260, 344 - Frank-van der Merwe 260,344 - Stranski-Krastanov 260,344 - surfactant-mediated 344 - Volmer-Weber 260

H 3 site on {111} surfaces 200 Heterostructures, strained 394 HF dips of Si surfaces see hydrogen

passivation Honeycomb-chained-trimer structure Hybrid energy, definition 44 Hybrid energy, average - correlation with dielectric mid-gap

energy 91 - definition 91

254

Hydrogen coverage on Si surfaces 243 Hydrogen-passivation of Si surfaces by HF

dips 197,244,341 Hydrophobic and -philic Si surfaces 241,

341

Ideality factor ofIjV characteristics 351, 353f.

Image force 351 Indium phosphide (110) - ionization energy 125, 127 - surface phonons, dispersion of 114 - surface structure 106 Interface charge neutrality 76, 87, 348, 358,

364,393 Interface defects see defects at

metal-semiconductor interfaces Interface dielectric constant 82, 85, 369, 393 Interface dipoles - interface doping, induced by 366 - interface structure, induced by 369 - Schottky contacts, in 366, 369 - semiconductor heterostructures, in 391 - stacking faults, induced by 370 Interface doping 366 Interface states see metal-induced gap

states Interface structure 363, 369, 372

438

Interface dipoles - due to MIGS 8lf. - effect on band discontinuities in

heterostructures 391 - effect on barrier heights of Schottky

contacts 366f. Inversion layer 25, 26, 30 see also

Space-charge region Ionicity - and reconstructions on elemental

semiconductors 162f.,210 - of bonds 49 - of compounds 97, 100 (table) Ionization energy - calculations 128 - chemical trends 128, 149 - definition 14 - dependence on temperature 124f. - dependence on surface composition - dipole contribution on III-V (110) - table 127 - temperature coefficients 125 - variation by adatom-induced surface

dipoles 274f. - variations by adsorbed Cs 277 - variations by adsorbed H 278f.

Jahn-Teller theorem 153, 187

Keating model 136 - force constants l37 (table)

149 283

Langmuir evaporation temperature 134 (table)

Layer model 93, 103, 144, 164, 189, 210, 338

Madelung energy 99 Matching plane 35 Matrix elements - inter-atomic 44 - inter-hybrid 43 - inter-orbital 44 Maue's criterion for the existence of surface

states 35 Metal-induced gap states, continuum of - concept 75,357f. - density at CNL 39 (table) - existence 362 - occupation of 80 Metal-semiconductor contacts 2, 347ff. - barrier heights 75,81, 357f. - binary compound semiconductors 360f.,

368,378 - elemental semiconductors 361

- high-pressure effects 382 - inhomogeneities, lateral 352f. - interface dielectric constant 82, 85, 369,

393 - interface dipoles 366,369,391 - local density of states 78 - semiconductor bulk structure 378 - slope parameters 84, 375 - temperature effects 382 - ternary compound semiconductors 380 - types of states at interfaces 77 MIGS see Metal-induced gap states MIGS-plus-defects model 86, 364 MIGS-and-electronegativity model 80, 362f. Milk-stool model see Trimers of adatoms Minimization of total energy 108f. Missing dimer structures 137f., 145 Missing layer model 253 Monolayer, definition 18 Mott-Cabrera oxidation mechanism 326f.,

330 Mott potential, experimental values 328, 332

Net charge in surface states 55, 59 NH3 adsorption on - InP(110)-1 x 1 299 - Si(lll):B-(j3 x j3)R30° 299 NiSi2 /Si Schottky contacts - interface dipoles 363f., 372f. - pressure effects 384 - Si(OOI) 375 - Si(ll!) type-A, type-B 363,372f.

Optical absorption coefficient, spectral dependence 160, 177

Optical transitions on clean surfaces 123, 182, 184

Oscillatory photoconductivity 179 Oxidation kinetics on - GaAs(110) 329 - Si(OOI):H-I x 1 342 - Si(III):H-I x 1 341 - Si(I11)-2 x I and -7 x 7 317f.,333 - III-V (110) 328f. Oxidation, photon-stimulation of 333 Oxide growth, initial stages of - GaAs(II0) 300,336 - silicon 326 Oxygen adsorption on - GaAs(llO) 330,336 - Si(lII)-2 x I and -7 x 7 317 Oxide desorption temperature - III-V compounds 133 (table) - SiC 168 - silicon 197

Pandey's model 185 see also n-bonded chains

Passivation of - GaAs(110) by antimony 312 - Si(ll!) and -(001) by hydrogen 340f. - Si(I11) by arsenic 304f.,345 Pedestal site on {100}-2 x 1 surfaces 250 Peierls instability 192 Penn model 36f. Peroxy-radical model 323 Photoelectric threshold see ionization

energy Photon-stimulated oxidation 333 Photothermal displacement

spectroscopy 179, 183 "-bonded chains 170,173, 185f., 191, 193 Pinch-off 356 Pinning of the Fermi level - adatom-covered surfaces

291,292

15f., 57f. 18, 284, 286,

- clean surfaces 17 (table) Plasmon energy of valence electrons,

table A.I Poisson's equation 20f. Polarity of bonds related to

electronegativity 49 Polarization-modulated reflectivity 123 Potential-energy diagram for dissociative adsorption 235,237 Precursor-mediated adsorption 225f., 317

Quasi Fermi levels 62 Quasi-particle band structure - GaAs(110) 121 - Ge(111)-2 xl 176 - Ge(111):As-l x I 307 - Si(l1 1)-2 x I 176

Raman effect, electric-field-induced 118 Rayleigh phonons 112, 180,247 Reflectivity, polarization-modulated 123 Relaxations on (11 0) surfaces of

compounds 106 (table) - dependence on bulk ionicity 109 - dependence on lattice parameter 107 - results of calculations 106, 110 Restatoms 203, 206

see depletion layer

Sp3 hybrids 43 - energy of 44 Schottky barrier Schottky contacts see metal-semiconductor

contacts Schottky effect see image force Schottky-Mott rule 349,357

439

Screening length see Debye length, Thomas-Fermi screening length

Seiwatz model - Ge-andSi(111)-2 x 1 surfaces 173f. - Si(I11):Ag-3 x 1 259 Semiconductor heterostructures 387f. - interface dipoles 391 - mixed interfaces 392 - non-polar interfaces 391 - polar interfaces 392 - strained 395 Shockley-Read-Hall recombination

mechanism 64 Silicon "-bonds 187f. Silicon (111)-2 x 1 - band structure - core-level shifts - double bonds

176 163, 189

187f. - Fermi-level position 17 - ionization energy 127 - polarization dependence of band gap 183 - structure 184 - surface phase transition 220 - surface phonons, dispersion of 180 - temperature dependence of surface band

gap 183 - tilted chains 184 Silicon (111)-5 x 5 223 Silicon (111)-7 x 7 - core-level shifts 210 - DAS model 202 - energetics of reconstruction 212 - Fermi-level position 17 - ionization energy 217 - structure 7, 10, 198f. - work function 16 Silicon (00 1) - core-level shifts 162 - dimer structure 152 - dispersion of surface states 159 - energetics of dimer formation 135 - Fermi-level position 17 - ionization energy 127 Silicon carbide (001) 168 Slope parameter of barrier heights - continuum of interface states 84f. - dependence on dielectric constant 86,

375 Space-charge density 24 - versus surface band-bending 25 Space-charge function 24 Space-charge layers 12, 19f. - approximate solutions 25 - charge exchange with surface states 55f. - effective width 28

440

- excess-carrier densities 68 - metals 27 - non-equilibrium conditions 61 - quantum size-effects 28 Stacking-fault energy 186,213 Steps on Si(OOI) surfaces 152, 157 Sticking coefficient, initial 236 - fluorine on Si(001)-2 x 1 236 - hydrogen on Si(001)-2 x 1 242 - orientational dependence 317 - oxygen on GaAs(1lO) 330 - oxygen on Si(111)-7 x 7 318 - oxygen on Si(I11):H-1 x 1 341 - temperature dependence 318 STM images - GaAs(001)-c(2 x 8)/(2 x 4) 138 - GaAs(001)-c(4 x 4) 142 - GaAs(110)-1 x 1 122 - GaAs(11 1)-2 x 2 228 - GaAs(IIIj-(2 x 2) 229 - GaAs(III)-(ji9 x ji9)24.5° 230 - Si(001)-2 x 1 155 - Si(I11)-2 x 1 124 - Si(I11)-5 x 5 223,224 - Si(I11)-7 x 7 10,198,200,224 - Si(I11):Ag-3 x 1 258 - Si(111):Sb-(j3 x j3)R30° 310 Strain effects 156f. Strain energy 136 Strained heterostructures 395 Stranski-Krastanov growth mode 260, 344 Subbands 30 Surface absorption coefficient 160, 177 Surface acceptors induced by nonmetal

adatoms 290 - chemical trend 294 Surface band-bending - definition 20 - dependence on bulk doping level 57 - nonequlibrium, in 61 - occupation of surface states, and 56, 59 - temperature dependence of 58 Surface band structure 120,121,149,176,

208,209,246 Surface charge neutrality 4, 54, 165 Surface conductivity 70 Surface core-level shifts - compound semiconductors 96 (table), 100 - condition of charge neutrality 165 - elemental semiconductors 163 (table) - relation with GaAs(OOI) surface

structures 143 Surface differential spectroscopy 123, 181f. Surface dipoles - adatom-induced 49f.,274f.

- GaAs(110)-1 x 1 283 - Si(001)-2 x 1, on 161,280 - variation of ionization energy by 276f. Surface donors induced by metal

ada toms 284f. - chemical trend 287, 289 Surface energies 213 Surface excess of mobile carriers 68 Surface mobility 71 Surface-molecule approach 46 - ada tom-induced core-level shifts, and

268 - adatom-induced surface dipoles, and 49,

277f. - antibonding levels 47, 288, 293, 294 - bonding levels 47,288,293, 294 - non bonding levels 293, 294 - Cion GaAs 48, 294 - Cion Si(OOI) 293 - Cs on GaAs 48, 288 - H on GaAs 288 Surface optical transitions on clean

surfaces 122, 123 (table), 160, 177, 184f.

Surface phase transitions: irreversible - GaAs(OOI) l3lf. - Ge(I11)-2 x 1 -> c(2 x 8) 220f. - Si(III)-2 x 1-> 7 x 7 220f. Surface phase transitions: reversible - Ge(001)-2 x 1 ~c(4 x 2) 165 -Ge(001)-2xl~"lxl" 152 - Ge(I11)-c(2 x 8)~"1 x I" 215 - Ge(l1l)-"1 x 1"~("1 x 1")h 153,

220 - Si(001)-2 x I ~c(4 x 2) 165 - Si(111)-7 x 7~"1 x I" 215f. - Si(I11):Ag-3 x 1 ~ 6 x 1 256 Surface phonons 110f.,178 - acoustic 112 - Fuchs-Kliewer 111,112 (table), 281

(table) - optical 111, 178, 180 - Rayleigh 112 Surface phonons on - GaAs(110)-1 x 1 113 - InP(110)-1 x 1 114 - Si(111)-2 x 1 180 - Si(111):H-l x 1 247 Surface photoconductance spectroscopy 178 Surface photovoltage 61, 118 - Dember effect 67 - dependence on light intensity 66, 67,

118 - dependence on surface band-bending 66 - spectroscopy 161, 178

- temperature dependence 290 Surface recombination velocity 65 Surface segregation 132,214, 345 Surface-state spectroscopy with

STM 122, 198,200,258 Surface states on clean surfaces - band gap 123, 160, 178, 181f. - cleavage-induced 115,117,181 - dispersion curves 120,121,149,159,176,

208,209,246 - intrinsic-versus-extrinsic 115, 117 - origin 35, 43 Surface states, phenomenology of - charge density 37 - occupation statistics 56, 59 - pinning of the Fermi level 57 - recombination 64 - wavefunctions 33, 37 Surface states theory of - boundary condition for existence 35 - cluster method 11 - local-density-functional 11, 176 - nearly free electron approximation 34f.,

52 - quasi particle 11, 121, 176, 307 - scattering theoretic technique II - slab methods 11 - tight-binding approach 12, 39, 46,

116 Surface strain 136, 156 Surface structures see Index of Surface

Structures and Adsorbates and specific semiconductors

Surface vacancies in - CuBr(001)-c(2 x 2) 146 - GaAs(I11)-2 x 2 226f. Surfactants 344f.

T4 site on {Ill} surfaces 200 Tailing length of MIGS 38, 362 Thomas-Fermi screening length 14,

27 Topping model 274f. Trimers of adatoms in T4 positions on - GaAs- and InSb(III)-2 x 2 229 - Si(111):Ag-(j3 x j3)R30° 253 - Si- and Ge(111):Bi(Sb)-(j3 x j3)R30°

308

Ultrahigh vacuum 6 Unified defect model 364

Valence-band maximum - LCAO energy of 44 - table 45

441

Valence-band offset see Band discontinuities Vibrations of ada toms see Adatom

vibrations ViGS see Virtual gap states Virtual gap states 31f. Volmer-Weber growth mode 260

442

Work function - definition 14,276 - dielectric 83, 85 - e1ectronegativity, correlation with 83

Zero-charge-transfer barrier height 79

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