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Chapter 2

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Chapter 4

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ChapterS

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Chapter 6

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6.71 M.C. Desjonqueres, D. Spanjaard: J. Phys. CIS, 4007 (1982) 6.72 M.C. Desjonqueres, D. Spanjaard: J. Phys. C 16,3389 (1983) 6.73 C. Thuault-Cytermann, M.C. Desjonqueres, D. Spanjaard: J. Phys. C 16,5689 (1983) 6.74 H. Ehrenreich, L. Hodges: Methods Comput. Phys. 8,149 (1968) 6.75 Y. Boudeville, J. Rousseau-Violet, F. Cyrot-Lackmann, S.N. Khanna: J. Physique 44, 433

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G. Treglia, M.e. Desjonqueres, D. Spanjaard: J. Phys. CIS, 423 (1982) G. Guillot, P. Roubin, J. Lecante, M.C. Desjonqueres, G. Treglia, D. Spanjaard, Y Jugnet: Phys. Rev B 30, 5487 (1984)

6.81 M. Bowker, D.A. King: Surf. Sci. 94, 564 (1980) 6.82 R. Di Foggio, R. Gomer: Phys. Rev. Lett. 44, 1258 (1980) 6.83 e.M. Sayers: J. Phys. C 12,4333 (1979) 6.84 e.M. Sayers: J. Phys. C 16,2381 (1983) 6.85 C.I. Wright, e.M. Sayers: Rep. Prog. Phys. 46, 773 (1983) 6.86 H. Ibach, D. Bruchmann: Phys. Rev. Lett. 44, 36 (1980) 6.87 S. Andersson: Chern. Phys. Lett. 55, 185 (1978) 6.88 K Christmann, R.I. Behm, G. Ert!, M. Van Hove, W. Weinberg: J. Chern. Phys. 70, 4168

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Faraday Trans I 73, 1 (1977) R. Stockmeyer, H.M. Stortnik, I. Natkaniec, J. Mayer: Ber. Bunsenges. Phys. Chern. 84, 79 (1980) R.D. Kelley, 1.1. Rush, T.E. Madey: Chern. Phys. Lett. 66, 159 (1979)

6.90 J.P. Jardin, M.C. Desjonqueres, D. Spanjaard: J. Phys. C 18, 1767, 18,5769 (1985) J.P. Bourdin, J.P. Ganachaud, J.P. Jardin, M.C. Desjonqueres, D. Spanjaard: 1. Phys. F 18, 1801 (1988)

6.91 P.I. Feibelman: Phys. Rev. B 35, 2626 (1987) 6.92 PJ. Feibelman: Phys. Rev. Lett. 54, 2627 (1985) 6.93 P.I. Feibelman: Phys. Rev. Lett. 63, 2488 (1989) 6.94 S.P. McGlynn, L.G. Vanquickenborne, M. Kinoshita, D.G. Carroll: Introduction to Applied

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6.117 T.L. Einstein: Phys. Rev. B 16, 3411 (1977) 6.118 J.E. Demuth, T.N. Rhodin: Surf. Sci. 45, 249 (1974) 6.119 J.E. Demuth, N.J. Di Nardo, G.S. Cargill III: Phys. Rev. Lett. 50, 1373 (1983) 6.120 M.e. Desjonqueres, F. Cyrot-Lackmann: Surf. Sci. 80,208 (1979) 6.121 A. Liebsch: Phys. Rev. B 17, 1653 (1978) 6.122 C.S. Wang, A.J. Freeman: Phys. Rev. B 19,4930 (1979) 6.123 D. Jepsen, e. Noguera, D. Spanjaard, C. Guillot, Y. Ballu, P. Thiry: Sol. State Commun. 28,

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598 References

Appendix A

A.l G. Breit. H.A. Bethe: Phys. Rev. 93, 888 (1954) A.2 See, for instance, L.I. Schiff: Quantum Mechanics, 3rd, edn. (MacGraw-Hill, New York 1968)

p.353 A.3 J. Friedel: Phil. Mag. 43, 153 (1952): Nuovo Cimento, Suppl. 7, 287 (1958)

Appendix B

B.I R. Haydock, V. Heine, MJ. Kelly: J. Phys. C 5, 2845 (1972) R. Haydock: Solid State Physics 35, 296 (Academic, New York 1980) G. Grosso, G. Pastor-Parravicini: Adv. in Chemical Physics, LXll, 81 (1985)

B.2 F. Cyrot-Lackmann: Analyse de 1a structure electronique des systemes desordonnes dans l' approximation des liaisons fortes, Dissertation, Orsay (1968) J.P. Gaspard, F. Cyrot-Lackmann: J. Phys. C 6, 3077 (1973)

B.3 P. Turchi, F. Ducastelle, G. Treglia: J. Phys. CIS, 2891 (1982)

AppendixD

D.1 N.D. Lang: In Theory of the Inhomogeneous Electron Gas, ed. by F. Lundqvist, N.H. March (Plenum, New York 1981)

Appendix F

F.l I. Adawi: Phys. Rev. 134, A 788 (1964) F.2 G.D. Mahan: Phys. Rev. B 2, 4334 (1970) F.3 W.L. Schaich, N.W. Ashcroft: Sol. State Commun. 8, 1959 (1970); Phys. Rev. B 3, 2452 (1971) F.4 C. Caroli, D. Lederer-Rozenblatt, B. Roulet, D. Saint-James: Phys. Rev. B 8,4552 (1973) F.5 J.B. Pendry: Surf. Sci. 57,679 (1976) F.6 P.J. Feibelman, D.E. Eastman: Phys. Rev. B 10,4932 (1974) F.7 D. Spanjaard, D.W. Jepsen, P.M. Marcus: Phys. Rev. B 15, 1728 (1977)

Appendix G

G.l N.D. Lang: Phys. Rev. Lett. 55, 230 (1985): Phys. Rev. B 34,5947 (1986) N.D. Lang: In Scanning Tunneling Microscopy III, 2nd edn. ed. by H.-J. Giintherodt, R. Wiesendanger, Springer SeT. Surf. Sci. Vol. 29 (Springer, Berlin, Heidelberg 1994)

G.2 J. Bardeen: Phys. Rev. Lett. 6, 57 (1961) G.3 J. Tersoff, D.R. Hamann: Phys. Rev. B 31, 805 (1985) G.4 A. Selloni, P. Carnevali, E. Tosatti, C.D. Chen: Phys. Rev. B 31, 2602 (1985) G.5 C. Caroli, R. Combescot, P. Nozieres, D. Saint-James: J. Phys. C 4, 916 (1971)

C. Caroli, R. Combescot, D. Lederer, P. Nozieres, D. Saint-James: J. Phys. C 4, 2598 (1971) T.E. Feuchtwang: Phys. Rev. B 10,4121 (1974)

G.6 C. Noguera: J. Microscopy 152, 3 (1988)

AppendixK

K.I L.D. Landau, E.M. Lifshitz: Theory of Elasticity (Pergamon, Oxford 1959) K.2 C. Kittel: Introduction to Solid State Physics (Wiley, New York 1971)

Subject Index

Absorption cross-section 94 threshold 94

Activation energy for surface diffusion, see Chemisorption

Adatom 48, see also adsorption Adsorbate-adsorbate interactions, see

Interactions between adsorbates Adsorption 411-528

binding energy 411-528 isosters 414-415 isotherms 416-432

Bethe 430 Brunauer, Emmett and Teller (BET)

420-423 Fowler 424 Fowler-Guggenheim 430 Gibbs 414 Langmuir 417-420, 528-529

see also Physisorption, Chemisorption Advacancy 48 Affinity energy 455-458,468,473,477,488 501 Al(OOI) ,

electronic band structure 210-215 photoemission 385-386

Anderson-Grimley-Newns Hamiltonian 425, 455, 458-469, 473-474, 492, 499, 518, 532-533,580-581

Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) 92-93, 149

Angle-Resolved Ultra-Violet Photoemission Spectroscopy (ARUPS) 378-387

Appelbaum and Hamann method 303-308 ARPEFS, see Angle-Resolved Photoemission

Extended Fine Structure ARUPS, see Angle-Resolved Ultra-Violet

Photoemission Spectroscopy Ashcroft pseudopotential 306 ASOS, see Solid On Solid models Asymmetric dimer model, see Si(I00) Asymptotic reconstruction, see reconstruction Asymptotic relaxation, see relaxation Atom diffraction 75

Atom scattering 74-78, 512 Atomic form factor 79 Atomic scattering factor 72-73, 88, 90, 543 Auger spectroscopy 98-99,378, 387,438

Back-bond surface states 271,276 Bardeen tunneling formalism 571 BCSOS, see Solid On Solid models Bethe isotherms, see Adsorption BET (Brunauer, Emmett, Teller) isotherms, see

Adsorption Binding energy of an adatom, see adsorption,

Physisorption, Chemisorption Bloch theorem 64,219,259,285,286 Bloch waves

evanescent 287,291,379,567-568 generalized 287-288,291,292,307,379,

567-568 propagating 287,379,567-569

Bond length of an adatom, see Chemisorption Born-Haber cycle 374-375 Born-Mayer potential 241,251,492,500 Born von Karman boundary conditions 164,

167,310,317,320,347,397 Bragg diffraction 43,437

condition 82, 85, 145 peak 79,85-86 rod 64,80

Bragg-Williams approximation condensation transition 423-427,529-530 order-disorder transition 435-438, 530 roughening transition in the lattice gas

model 35-36 Brillouin zone

surface 53-57 surface adapted 204,210-211,569 two-dimensional 54

Broken bond model 31,32,34,495 Buckling model, see Si(I11) Bulk modulus of homopolar semi­

conductors 267

Cauchy relation 114 Channeling of ions 101

600 Subject Index

Characteristic function 228 Charge-charge response function 358 Charge-potential response function

bulk 317, 359 surface 330,343-344,448

Chemisorption activation energy for surface diffusion 452,

454,496,501-502,504,515-516 bondlength 452-453,488,495,500-503 charge transfer 452,455-458,466,492,518,

523 energy 411-528 function 460, 463, 519 site 452-453,472-473,488,495, 501-502 vibration frequencies 452, 505-514 see also Interactions between adsorbates

Cohesive energy homo polar semi-conductors 265-267 transition metals 238-242,491

Collective electronic excitations, see Plasmons Compton scattering 85 Condensation phase transition 416,423-432 Contact potential 393 Continued fraction technique 545-552

electrons 220,223-224, 228, 498, 532-533 phonons 134-137

Core level energy shifts, see Surface core level binding energy shifts and Surface core level spectroscopy

Correlation energy 178-187,251,295,355-370, 409,475-477,492,498-504,523,556

Corrugated hard wall model 75-78 Coulomb integral 232,366-367,409,456-459,

467,499,501,538 Crystal field integrals 218,219,242,257 Crystal truncation rods 85-86 Cu(I00) flat surface 408-409 Cu(I00) stepped surface 43 Cu(110) 381-384 Cu(lll) 353-355

Dangling bond (or orbital) 269-274, 277-283 Debye frequency 143 Debye model 141 Debye temperature

bulk 140-143 surface 140--143, 146

Debye-Waller factor 71,91,98,143-152 in atom scattering 147 in low energy electron diffraction 145-146 in photoelectron diffraction 147-149 in surface extended X-ray absorption fine

structure 150-152 in X-ray scattering 147

Density functional formalism, see Local density functional formalism

Deshybridization energy 270 DGSOS, see Solid On Solid models Dielectric function 312-318,324,338,446,449,

554, 560 longitudinal 554-556 transverse 554-556

Diffraction at surfaces 63-86 pattern 64-86,101-104 rods 64-83

Diffusion factor, see Scattering factor Dimer model, see Si(I00) Dipolar approximation 90, 94, 561

selection rules 91, 96 Dipole-dipole interaction 438-439, 523-524 Dipole layer 174,185, 188,233-234 Dipole-surface interaction 439-440 Dispersion curves

electrons 189-215,219,370,378-389,527 complex 198,286-287,353

phonons 113-114,119,123,128-131 plasmons

bulk 319 Surface 323-335

Dispersion forces, see Van der Waals forces Displacement correlation function 143, 145, 150 Dissociative chemisorption of molecules

454-455,504-505 Drude model 315,319,322,407-408 Dynamical matrix 106-108, 134, 549

reduced 112, 127 Dynamical polarizability 442-443,446,

450-451,578-579 Dyson equation 515,562

EAPFS, see Electron Appearance Potential Fine Structure

EELS, see Electron Energy Loss Spectroscopy Effective medium theory 77,451,475-491,

508-512 generalized 534, 536

Elastic constants 114, 121 in cubic crystals 581-584

Elastic energy 584 Elastic force constants, see Force constants Elastic strain 581-582 Elastic stress 121, 582-583, see also Surface

excess stress Elastic waves 583-584, see also Rayleigh waves Electron Appearance Potential Fine Structure

(EAPFS) 100, 101 Electron Energy Loss Spectroscopy (EELS)

128-131,371,392,453,508,512

Electron mean free path 71-72,88,91,98-99, 371,379,381,569-570

Electron reflectivity 351-355 Electron Spectroscopy of Chemical Analysis

(ESCA) 371 Electron Stimulated Ion Desorption Angular

Distribution (ESDIAD) 101 Embedding energy

in chemisorption 486-491 in jeUium 475-478 in real medium 478-486

Equilibrium shape of crystal 7-16,44,45, 395 of a step 29, 46

Equivalent core approximation 374 ESCA, see Electron Spectroscopy for Chemical

Analysis ESDIAD, see Electron Stimulated Ion

Desorption Angular Distribution Ewald construction 64-65,80-81 EXAFS, see Extended X-ray Absorption Fine

Structure Exchange energy 177-187,295,361-365,

367-368,475-477,501,556 Exchange integral 367-368 Extended X-ray Absorption Fine Structure

(EXAFS) 93-99,104-105

Facetting 13-15 FEM, see Field Emission Microscopy Field Emission Microscopy (FEM) 394,453 Field evaporation 58 Field Ion Microscopy (FIM) 57-60, 452, 501,

515-517 FIM see Field Ion Microscopy Fluorescence signal 98-99 Force constants

angular 111, 112 central 107-110,508,510-512,514

Force theorem 399-401 Fowler adsorption isotherm, see Adsorption Fowler-Guggenheim adsorption isotherm, see

Adsorption Fredholm formula 360, 558-559 Frequencyequation 122 Friedeloscillations 169, 397,485,490 Friedel's sum rule 466,476,492,543-544

GaAs(110) 391-392 Gamma plot (y-plot) 7-16,41,44,395 Gibbs adsorption equation 414 Gibbs adsorption isotherm, see Adsorption Gibbs equimolecular dividing surface 5 Green function matrix method 514-515

Subject Index 601

Green operator (or function) 134-135,222-226, 365,459-471,518-519,545-551,562-566, 580-581

GR matrix method 77

Harmonic approximation 106, 108, 505, 508, 549

Harrison model 269-270,273,279-283,407 Hartree approximation 359 Hartree-Fock approximation 178, 364, 366,

458,462,464,466-468,499,515,580-581 Hartree-Fock energy 364, 368 Hartree potential 184,247,372 Height correlation function 18-19,26,29,

39-40 Helium diffraction 75-78 Herring construction 13-15 Heteropolar semiconductors 265, 268, 284-285 High index surfaces, see Stepped surfaces Homopolar semiconductors 215-217,254-283 Hooke's law 111,583 Hopping integrals

d bands 235-238 definition 219 sp bands 255-258 see also Tight-binding approximation

Hubbard hamiltonian 361-370,409,499 Hiickel method 217,515 Hydrogen on transition metals 489-490, 537

lABS, see Inelastic Atom Beam Scattering Image potential 185, 338-355, 456-457 Image surface states 348-355, 387 - 389,

408-409 Inelastic Atom Beam scattering (lABS) 128,131,

512 In Sb(11l) 86-87 Integrated intensity in X-ray scattering, see

X-ray scattering Integrated photoemission, see Photoemission

spectroscopy Interaction between adsorbates

dipolar 523-524 elastic 524-525 electronic 517-523

direct 522-523,537-538 indirect 518-522

Interatomic forces, see Force constants Intersite density of states 365 Inverse Photoemission Spectroscopy

isochromat 387 k-resolved (KRIPES) 387-389

Ion Desorption Angular Distribution, see ESDIAD and PSDIAD

602 Subject Index

Ionization energy 374,455-458,468,473, 501 Ionization field 58 Ion scattering 101 Ising model 34-36,431 Isoster, see Adsorption Isosteric heat of adsorption 414-415,419-420,

427,431 Isotherm, see Adsorption

Jellium model chemisorption 455,469-474, 520 electronic states 163-188 embedding energy 475-478 image potential 339-346 Physisorption 445-452 plasmons 311-335

Jones zone 216-217

Kelvin method 393 Kink 19-29,46,47,48

energy 20-21 Kohn-Sham method 183-188,556 Koopmans's theorem 372 Kosterlitz-Thouless transition 40-41 KRIPES, see Inverse Photoemission

Spectroscopy

Langmuir isotherm, see Adsorption Lattice

coincidence 69 rationally related 68-69, 85 simply related 68-69

Lattice gas model 34-37,423-438 Laue condition 80 Layer KKR method, see Propagation matrix

method LDOS, see Local Density of States LEED, see Low Energy Electron Diffraction Leman-Friedel model 258-267 Lippmann-Schwinger equation 471,562-563 Local charge neutrality condition 233-234,243,

268,367,373,492-495,499,521 Local density functional formalism 77, 177-181,

334,399-401,556-557 chemisorption 469-491 image potential 338-355 semi-infinitejellium 181-188 validity 356-361

Local Density of States (LDOS) at point r 61,301-302,389-390,526,575,577 in tight-binding method 220-234, 243-254,

363-367,375,459-463,492-493,499-500,521

Long range order parameter 433-438, 530

Low Energy Electron Diffraction (LEED) 70-74,271,292-294,301-303,355,385,437, 452,513,526,566

Madelung energy 232 Maxwell equations

in matter 312-313,553-554 in vacuum 552-553

Mean free path, see Electron mean free path Mean square displacements 140-152,159-161

relative 147-152 Metal electronic structure

jellium model 163-180 KKR method 294-303 nearly free electron model 188-215 tight-binding model 235-254 see also Plasmons, Image potential

Metropolis algorithm, see Monte-Carlo method Microcalorimetry 452 Mo(llO) and (100) 246,254,303 Molecular model for semiconductors 258-259,

262-263,268-271 Moments of a density of states 223, 226-229,

240,243,493,497,520-521,552-554 Theorem of 404

Monte-Carlo method 38-40, 432, 437 in roughening transition 38-40 Metropolis algorithm 38

Muffin-tin approximation 163,210,284, 294-298,385,526

Multilayer reconstruction, see Reconstruction Multilayer relaxation, see Relaxation Multiphoton photoemission 355 Multipole surface plasmons 335

Nearly free electron model 163,188-217, 304-305, 352-355

bulk electronic states 188-196 surface electronic states 197-215,401

Normal vibration modes 159-161

One particle excitation spectrum 467 Optical selection rules 380-385,409, see also

Dipolar selection rules Optical transition matrix element 90, 92, 94,

377-380,560-562,566 Order-disorder transition, see Phase transition Oscillator strength 442, 446, 579 Oxygen

overlayer on Ni(loo) 525-528 on transition metals 489-490

Partition function 28, 137, 417-438 Patterson function 83-87

Phase transition condensation 416,423-432,529, order-disorder 416,432-438,517, 525, 530 roughening 15-43

PhD, see Photoelectron Diffraction Phonon, see Vibration modes Photoelectric effect 86-87 Photoelectron Diffraction (PhD) 86-93, 380 Photoemission spectroscopy 370-387,409-410

calculation of intensities 385 core level 371-377 integrated 377-378 selection rules 363-366, 409 valence states 377-387 see also Inverse photoemission spectroscopy

Photon Stimulated Ion Desorption Angular Distribution (PSDIAD) 101

Physisorption 411,416-452,487 pi (n)-bonded chain model, see Si(111) Pinning potential 15, 19,25, 27 Plasmons

bulk 311-320,335-338,449 Surface 310-311,320-335,338,407,408

Primitive cell 48 Projected bulk band structure 214-215,

276-277,384 Propagation matrix method 284-294

layer KKR method 284,294-303,385, 526-528

pseudo-potential method 306-310 Pseudo-potential method 163, 264, 303-310,

472-473

Quasi-chemical model 427-431,437

Random Phase Approximation (RPA) bulk plasmons 316-320,335-338 exchange-correlation energies 356-361 surface plasmons 329-335, 338

Rayleigh waves 120-123,129,130-131,153,154 Reciprocallattice 53-57,63-86 Reconstruction 49-51,68,102-104,124,243

asymptotic 125-127 multilayer 125-127,254 see also InSb(111), Si(I00, Si(1l1), W(OOI)

Recursion method 545-547 Relaxation 49,51,124,243,251-254,524

asymptotic 125-127 multilayer 125-127,254

Richardson formula 354 Roughening transition 15-43

lattice gas model 34-37 renormalization approach 28-29 solid on solid (SOS) models 37-43 temperature 15,29, 36-40,43

Subject Index 603

RPA, see Random Phase Approximation

Scanning tunneling microscopy (STM) 60-62, 275,389-392,452,571-578

Scattering factor, see Atomic scattering factor Scattering phase shifts 73, 89-90, 96-98, 298,

476-477,540-544 Secondary electrons 86, 376, 378, 394 SEELFS, see Surface Electron Energy Loss Fine

Structure Self-energy 370,467-468,499 Semi-conductor electronic structure

nearly free electron model 215-217 tight-binding model for the bulk 254-269 tight-binding modelfor surfaces 267-284,373

SEXAFS, see Surface Extended X-ray Absorption Fine Structure

Shift integral, see Crystal field integrals Shockley surface states 199,354-355,388-389,

409 Si(lOO)

ideal 275-278 (2 x I) reconstructed with asymmetric

dimers 281-285 (2 xl) reconstructed with symmetric

dimers 278-280 Si(lll)

ideal 271-272 (2 x 1) reconstructed, buckling model

272-274 (2 xl) reconstructed, n bonded chain

model 274-275,407 SIRS, see Surface Infra-Red Spectroscopy Slab methods

phonons 119-120, 134 electrons 220,308-310

Slater-Koster parameters 219 d bonds 236-238 pd bonds 494 sd bonds 494 sp bonds 255-256

Soft phonon 125, 156-157 Solid On Solid (SOS) models 36-40

Absolute (ASOS) 37, 39-40 Body-Centered (BCSOS) 40 Discrete Gaussian (DGSOS) 38-40

SOS, see Solid On Solid models Spectral densities of vibration modes 133-137

bulk 133-140 local 133-137,138,141,157-158,512-513

Sp3 hybrids 256-264,268,271, 275-279 SRS, see Surface Raman Spectroscopy Step 8, 16, 19,27,29,43-48, 53, 66-68

energy 8,22,24,31-33,41,43,44,405,406

604 Subject Index

equilibrium shape 29 roughening 29-43

Stepped surfaces 8, 43, 53, 62, 66-68, 104 STM, see Scanning Tunneling Microscopy Strain, see Elastic Strain Stress, see Elastic Stress Structure factor 79 Surface Brillouin zone 53-57, 101

adapted 204,210-211,569 Surface core level binding energy shifts 92, 268,

371-377, 503 Surface core level spectroscopy 245, 371-377,

452,492 Surface deformations 6-7

elastic 6-7 plastic 6-7

Surface dipole layer, see Dipole layer Surface electron density 168-169, 173-174,

182-183 Surface Electron Energy Loss Fine Structure

(SEELFS) 100-101 Surface electronic energy 170, 175-176,

184-187, 247-254, 360-361, 366-369, 405-406,491

Surface electronic resonances 162,210,220,222 Surface electronic states

definition 162 nearly free electron model 188,197-215,401,

408,409 tight-binding approximation 220, 222, 224 at semi-conductor surfaces 268-284 propagation matrix method 287,291,

301-303,307-308 in Al 210-215,310,385-386 experiments 370,378-379,384-385,388-389,

392 see also Image surface states, Shockley surface

states, Tamm surface states Surface excess stress 6-7 Surface excess thermodynamical quantities 4-7,

412-413 enthalpy 6,413 entropy 6,413 free energy 5-41,395-413 internal energy 6, 16, 413 work 7

Surface Extended X-ray Absorption Fine Structure (SEXAFS) 93-99, 452

Surface heat capacity 6 Surface Infra-Red Spectroscopy (SIRS) 128 Surface photoelectric effect 385, 560 Surface plasmons, see Dispersion curves,

Plasmons Surface Raman Spectroscopy (SRS) 128

Surface reciprocal lattice 54, 63-86 Surface reflectivity 79 Surface segregation energy 375 Surface vibrational thermodynamical functions

entropy 137-139, 158-159 free energy 137-139 internal energy 137,139-140,158-159 specific heat at constant volume 137, 139-140

Surstructures 51-53,68-71 notations 51-53

susceptibility, see Charge potential response function

Synchrotron radiation 78, 94, 100

Ta(llO) and (100) surface core level shifts 375-377

Tamm surface states 225 Terrace, Ledge, Kink (TLK) model 48 Thermal desorption 452 Thermal diffuse scattering 85, 145 Thermionic emission 394 Thomas Fermi Approximation 181-183 Thomas-Fermi-Dirac-Gombas model

182-183,398-399 Thomson formula 79 Tight-binding approximation

chemisorption 491-505,509-513,520-523, 536-537

correlations 361-370 formalism 217-234,545-552 semiconductors 254-284, 406 transition metals 235-254, 372-373, 402-406

TLK model, see Terrace, Ledge, Kink model T matrix 565-566 Total photoemission yield 98-99 Tunnel effect 60 Tunneling current 60-61,571-578 Two dimensional Bloch theorem 64 Two dimensional Bravais lattices 49-50 Two dimensional Brillouin zone 53-57 Two dimensional Ewald construction 64-65 Two dimensional lattices 48, 68-69 Two dimensional point groups 49 Two dimensional reciprocal lattice 53-57 Two dimensional space groups 49

Ultra-violet Photoelectron Spectroscopy (UPS) 378, 380, 453

theory 559-570 Umklapp process 380,383 UPS, see Ultra-violet Photoelectron

Spectroscopy

Van der Waals forces 75,411,438-452,487, 531-532

Van Hove singularity 230,245 Vibrating capacitor method 393 Vibration modes

of adsorbates 452,505-514 bulk 112-114 surface 114-123,128-131,153-155

Vicinal surfaces, see Stepped surfaces Viriual bound states 462,473,478

W(OOI) reconstruction 102 W(1IO) and (100) surface core level

shifts 375-377 Wentzel-Kramers-Brillouin (WKB)

approximation 577

Subject Index 605

WKB, see Wentzel-Kramers-Brillouin approximation

Work function 61,183,187-188,393-394,452, 455,466,492

Wulff construction 11-13,44,45, 395

XPS, see X-ray Photoelectron Spectroscopy X-ray Photoelectron Spectroscopy (XPS) 377,

380,453 X-ray scattering

at grazing incidence 78-86 integrated intensity 80-83

X-ray standing wave method 100