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SHORT COMMUNICATIONS
Self-consistent electronic structure of a metal surface G.P. Alldredge
Li(OOl)
Self-consistent cluster calculations for sulfur plus n nickel atoms uSlng the single site orbital method
F. Averill, B. Bennett, J.T. Waber
Cluster model calculations for the molecularly adsorbed NO on Ni I.P. Batra
Transitions from surface states In angular resolved photoemission from Cu(lll)
P.O. Gartland
Chemisorption of hydrogen on simple metals O. Gunnarsson, H. Hjelmberg and B.I. Lundqvist
Recent developments in infrared reflection absorption spectroscopy K. Horn
Why model supported catalysts ? R.W. Joyner
Metal monolayer formation In electrochemical systems D.M. Kolb
Morphological changes by surface self-diffusion : determination of surface diffusion coefficients (clean and adsorbed surface) by tip blunting and by grain boundary groove profile on a wire
Vu Thien Binh
Dynamic rearrangement of nickel atoms In a large cluster using the Frohlich-Raimes method
J.T. Waber and R. Yu
621
LIST OF PARTICIPANTS
I. ABBATI, Istituto di Fisica, Politecnico di Milano, Piazza L. di Vinci, 32 - 20133 Milano - Italy
H. ALBERS, Van't Hoff Laboratory, Padualaan, 8, De Uithof - Utrecht Netherlands
G. ALLAN, I.S.E.N., Laboratoire Physique des Solides, Rue Fr.Baes, 3 - 59046 Lille - France
G.P. ALLDREDGE, University of Texas, Physic Department RLM 5.208, Austin-Texas 78712 - U.S.A.
M. ALNOT, Centre de Cinetique Physique et Chimique du C.N.R.S., Route d' Andoeuvre - Villers-Nancy - France
S. ANDERSSON, Chalmers University of Technology, Department of Physics, Fack - 40220 Goteborg 5 - Sweden
J.-M. ANDRE, Facultes Universitaires de Namur, Groupe Chimie-Physi-que, Rue de Bruxelles, 61 - 5000 Namur - Belgium
C. BACKX, Potgieterlaan, 67 - Hazersvonde - Netherlands M. BARBER, UMIST, P.O. Box 88, Manchester - M60 1DQ - England I. BATRA, IBM Research Laboratory, K33/281, San Jose - California
95193 - U.S.A. P. BILOEN, Koninklijk/Shell-Laboratory, Badhuisweg, 3 - Amsterdam
Noord - Netherlands J.M. BLOCK, Fritz-Haber Institut der Max Planck Gesellschaft,
Faradayweg 4-6 - 1 Berlin 33 / Dahlem - Germany J. B.NAGY, Facultes Universitaires de Namur, Groupe de Chimie
Physique, Rue de Bruxelles, 61 - 5000 Namur - Belgium G.C. BOND, Brunel University, Department of Chemical engineering,
Kingston Lane, Uxbridge - Middlesex UB8 3PH - England M. BOUDART, Stanford University, Stauffer III, Department of Chemi
cal Engineering, Stanford - California 94305 - U.S.A. R. BRAKO, Institute "Ruder Boskovic", P.O.B. 1016 - 41001 Zagreb
Yugoslavia C.R. BRUNDLE, I.B.M. Research Laboratory, San Jose - California
95114 - U.S.A. A. CAMPERO, University Autonoma Metropolitana, Department of Chemis
try, Avenue San Pablo, Azcapotzalco - Mexico 16, D.F. -Mexico
T.W. CAPEHART, Cornell University, Clark Hall, Physics Department, Ithaca - New York 14850 - U.S.A.
G. CASALONE, Istituto di Chimica Fisica, University di Milano -20133 Milano - Italy
D. COCKE - Fritz-Haber Institut der Max-Planck Gesellschaft, Faradayweg 4-6 - 1 Berlin 33 / Dahlem - Germany
I. DALLA LANA, University of Alberta, Department of Chemical engineering, Edmonton - Alberta - Canada
A. DATTA, Imp. College of Science and Technology, Department of Mathematics, Exhibition Road - London SW7 2RH - England
C. DEFOSSE, Place Croix du Sud, 1 - 1348 Louvain-la-Neuve - Belgium K. DENIS SEN , N.V. Philips, Department Elcoma H.O.C., Building BL -
Eindhoven - Netherlands
623
624 PARTICIPANTS
E. DEROUANE, Facultes Universitaires de Namur, Groupe de ChimiePhysique, Rue de Bruxelles, 61 - 5000 Namur - Belgium
B. DJAFARI ROUHANI, C.E.N. Saclay, Section Etudes interactions gazsolides, B.P. 2 - Gif-sur-Yvette 91190 - France
M. DOMKE, Fritz-Haber Institut der Max-Planck Gesellschaft, Faradayweg 4-6 - 1 Berlin 33 - Germany
P. ECHENIQUE, Cambridge University, Cavendish Laboratory, Madingleyroad - Cambridge CB3-0HE - England
T. ENGEL, Physikalisch-Chemisches Institut der Universitat, Sophienstraass 11 - 8 Muchen 2 - Germany
H. ENGELHARDT, Technische Universitat Mlinchen, Physik Department E20 - 8046 Garahing - Germany
w. ERLEY, Institut fUr Grenzflachenforschung und Vakuumphysik der Kernforschungsanlage JUlich GmbH - 517 JUlich 1 - Germany
G. FERRARIS, Montedison, Istituto Ricerche G.Donegani, Via del Lavaro 4 - 28100 Novara - Italy
L. FIERMANS, University of Gent, Laboratorium voor Kristallografic Krijgslaan, 271 - 9000 Gent - Belgium
J. FIGAR, Battelle, Route de Drize, 7 - 1227 Carouge/Geneve -Switzerland
A. FRENNET, Ecole Royale Militaire, Laboratoire de Catalyse FNRS, 30 Avenue Renaissance - 1040 Bruxelles - Belgium
J.J. FRIPIAT, C.R.S.O.C.I. - CNRS, Rue de la Ferrolerie - 45045 Orleans - France
J. FRIPIAT, Facultes Universitaires de Namur, Groupe de ChimiePhysique, rue de Bruxelles, 61 - 5000 Namur - Belgium
J.W. GADZUK, N.B.S., Surface and Electron Physic Division, Department of Physic Division, I.B.S., Washington - D.C. 20234 - U.S.A.
P.O. GARTLAND, Norwegian Institute of Technology, Department of Physics - 7034 Trondheim - Norway
J.P. GASPART, I.L.L., B.P. 156 - Grenoble - France J.W. GEUS, University of Utrecht, Division of Inorganic Chemistry,
Croesestraat, 77A - Utrecht - Netherlands J. GOODWIN, University of Michigan, Department of Chemical Enginee
ring, Ann Arbor - Michigan 48104 - U.S.A. T.B. GRIMLEY, University of Liverpool, Donnan Laboratories, P.O.
Box 147 - Liverpool L69 3BX - England M. GRUNZE, Universitat MUnchen, Physikalisch-Chemisches Institut
Sophienstraass 11 - 8 Mlinchen 2 - Germany o. GUNNARSSON, Institute of Theoretical Studies, Fack - 402 20
Goteborg - Sweden K. HANSEL, Technische Universitat, Lehrstuhl fur Theoretische Chemie,
Arcisstraass 21 - 8 Mlinchen 2 - Germany N. HERBST, National Bureau of Standards, B-214 Metrology Building -
Washington, D.C. 20234 - U.S.A. P. HERTEL, Institut fUr Theoretische Physik, Jungiusstraass, 9 -
2 Hamburg 36 - Germany B. HOLLAND, University of Warwick, Department of Physics - Coventry
cv4 7AL - England
PARTICIPANTS
K. HORN, Queen Mary College, Department of Chemistry, Mile end Road - London E1 4N5 - England
R. RUBIN, Rue du Chene, 8 - 4051 Plainevaux - Belgium
625
P.G. JAMES, BP Research Centre, Chertsey Road, Sunburry on Thames -Middlesex - England
D. JEWSBURY, University of Leicester, University Road - Leicester LE1 IRH - England
M. JONSON, Institute of Theoretical Studies, Fack - 40220 Goteborg 5 Sweden
Y. JUGNET, Laboratoire de Chimie Nucleaire, Boulevard du 11 Novemre 1918 - 69621 Villeurbanne - France
J. KATZER, University of Delaware, Department of Chemical Engeneering Newaek - Delaware 19111 - U.S.A.
N. KAUFHERR, Institut de Recherche sur la Catalyse, Boulevard du 11 Novembre 1918, 39 - 69621 Villeurbanne - France
P. KINET, Universite Libre de Bruxelles, Faculte des Sciences Appliquees, 50 , Avenue F.D. Roosevelt - 1050 Bruxelles -Belgium
D. KOLB, Fritz-Haber Institut der Max-Planck Gesellschaft, Faradayweg 4-6 - 1 Berlin 33 - Germnay
N. LANG, I.B.M., T.J. Watson Research Centre, P.O. 218, Yorktown Heights - New York 10598 - U.S.A.
A. LECLOUX, C/O Solvay & Cie., 310 Rue de Ransbeek - 1120 BruxellesBelgium
G. L'HOMME, Institut de Chimie Industrielle, Laboratoire de Genie Chimique, Rue A. Stewart 2 - 4000 Liege - Belgium
A. LUCAS, Facultes Universitaires de Namur, Groupe de Chimie Physique, Rue de Bruxelles, 61 - 5000 Namur - Belgium
S. MALO, Instituto Mexicano del Petroleo, Av. Cien Metros 500 Apdo. Pos. 14-805 - Mexico 14 - Mexico
P. MATSCHKE, Max-Planck Institut Plasmaphysik und Forschungsgelande 8046 Garching Munich - Germany
M. MESTDAGH, Universite Catholique de Louvain, Laboratoire ChimiePhysique Minerale, Place Croix du Sud 1, 1348 Louvain-laNeuve - Belgium
J.P. MUSCAT, I.S.E.N., Laboratoire de Physique des Solides, Rue F. Baes, 3 - 59046 Lille - France
C. NACCACHE, Institut de Recherche sur la Catalyse, 39, Boulevard du 11 Novembre 1918 - 69626 Villeurbanne - France
C. NIJBERG, Chalmers University of Technology, Department of Physics, Fack - 402 20 Goteborg - Sweden
R. NIEMINEN, Helsinki University of Technology, Department of Technical Physics - 02150 Otaniemi - Finland
K. PEDERSEN, Haldor Topsoe A/S, P.O. Box 49 - 2860 S¢borg - Denmark J.P. PlRARD, Institut de Chimie Industrielle, Laboratoire du Genie
Chimique, Rue A. Stevart, 2 - 4000 - Liege - Belgium V. PONEC, Rijkuniversiteit Leiden, Gorlaeus Laboratories, P.B. 15 -
Leiden - Netherlands D. REINALDA, Gorlaevs Laboratory, Postbox 15 - Leiden - Netherlands
626 PARTICIPANTS
G. RHEAD, Ecole Nationale Superieure de Chimie de Paris, Laboratoire de Metallurgie et Physico-Chimie des Surfaces, 11, Rue Paul et Marie Curie - 75231 - Paris Cedex 05 - France
T.N. RHODIN, Cornell University, School of Applied and Engeneering Physics, College of Engeneering, Ithaca - New York 14850 -U.S.A.
M.A. ROSALES MEDINA, University of Liverpool, Donnan Laboratories, P.O. Box 147 - Liverpool L69 3BX - England
L. SALEM, Universite de Paris Sud, Laboratoire de Chimie Theorique, 91405 Orsay - France
K. SCHWAHA, Physikalisch-Chemisches Institut, Innrain 52A - A-6020 Innsbruck - Austria
K. SCHWARZ, Technische und Elektrochemische Institut, Technische Hochschule Wien, Getreidemarkt, 9 - 1060 Wien - Austria
J.M. STREYDIO, PCES, 1, Place Croix du Sud - 1348 Louvain-Ia-Neuve -Belgium
O. TAPIA, Quantum Chemistry Group, Box 518 - 75120 Uppsala - Sweden M. TESCARI, Universita di Milano, Istituto di Chimica Fisica -
20 133 Milano - Italy THAN MINH DUC, Institut de Physique Nucleaire, Laboratoire de Chimie
Nucleaire, 43, Boulevard du 11 Novembre 1918 - 69621 Villeurbanne - France
VAN DER AVOIRD, University of Nijmegen, Institute of Theoretical Chemistry, Toernooiveld - Nijmegen - Netherlands
J. VAN DER MEIJDEN, University of Utrecht, Division of Inorganic Chemistry, Croesestraat, 77A - Utrecht - Netherlands
J.H.C. VAN HOOF, Eindhoven University of Technology, Department of Inorganic Chemistry - Eindhoven - Netherlands
W. VAN RIEL, Universiteit Instellingen Antwerpen, Department of Natuurkunde, Universiteit Plein 1 - 2610 Wilrijk - Belgium
R. VAN SANTEN, Koninklijk Schell Laboratorium, Badhuisweg, 3 -Amsterdam - Netherlands
J. VEDRINE, CNRS, Institut de Recherche sur la Catalyse, 39, Boulevard du 11 Novembre 1918, 69100 Villeurbanne - France
B. VU THIEN, Departement de Physique des Materiaux, 43, Boulevard du 11 Novembre 1918 - 69621 Villeurbanne - France
D. VERCAUTEREN, Facultes Universitaires de Namur, Groupe de ChimiePhysique, 61, Rue de Bruxelles - 5000 Namur - Belgium
J. WABER, Northwestern University, Department of Materials Science -Evanston, IL 60201 - U.S.A.
C.A. WARD, University of Missouri, Materials Research, Rolla -Missouri 65401 - U.S.A.
J. WEAVER, University of Wisconsin-Madison, Physics Science Laboratory, Stoughton - Wisconsin 53589 - U.S.A.
S.P. WEEKS, University of Pennsylvania, Department of Physics, Philadelphia - Pennsylvania 19175 - U.S.A.
B. WOOD, 333 Ravenswood Avenue, Menlo Park - California - U.S.A. P. WOOD, University of Bradford, Department of Chemistry - Brad
ford Yorkshire BD7 1DP - England
SUBJECT INDEX
Adhesion, 250 Adsorption, 103,104,237,238,242,
244,246,272,324 bridge, 51,53,75 complexes, 540 energetics, 17 heat of, 18,556,557 interactions, 21,166,205,425 isotherm, 249,251,252 isosteric heat of, 20 kinetics, 17,196,198,208 potential, 81 physical, 550
Aerosol, 249 Alloys,
binary, 259,262 Cu - Ni,575 diffusion in, 534 effect of alloying, 519,533, 597,598 electronic structure of, 592 594 electronic theory of, 590 history of catalysis, 590 ideal, 260,261 Ni - Al, 579,580 ordered, 573 regular, 259,260,261,571 surface composition, 570, 574 thermal desorption on, 588
Anisotropy, 95 crystal, 229,230 magnetic, 512 work function,55,56,67,97, 98,226,236
Appearance potential spectroscopy (APS), 3, 173
Auger Electron spectroscopy (AES) 3,173,235,251,254,258,383 ff, 373,401,407 wvv transitions, 409 WXV transitions, 409 WXy transitions, 409
Band bulk, 63,75 d, 45,47,49,54,58,59,63,64, 65,67,68,232 edge, 53,91 energy, 91 gap, 75,77,95 narrowing, 91 one-dimensional, 63 s, 47,65,67,75 structure, 45,55,65,75 valence, 45,47,50 width, 46,50,67
Bloch states, 114,126,131 theorem, 126 wave representation, 309
Bohr magneton, 505 Bond broken, 229,230
covalent, 145 Born-Mayer approximation, 50 Brillouin zone, 77 Catalyst, 229
supported metal, 238,505,523, 526 alloy, 590,597
Catalytic activity, 537,538,555, reaction, 238 oxidation, 567,568,606_ selectivitY,537,539,556,559, 562,606
Charge density, 232 neutrality, 57 oscillations, 45,54,57,58,67
627
628
Charge transfer, 14,67,145,155 Cluster, 238,240
calculations, 38,40,42,115, 148 of atoms, 101
CNDO, 39,150 Colloidal science, 526 Conducti vi ty, 4 6 Configuration interaction, 144 Coordination
average, 530 number, 50,57 surface, 530,531,532
Correlation, 81,82,83 conduction electrons, 555, 558 energy, 39,42,150 density of states, 555 exchange, 83,89 heat of adsorption, 556,557 heat of formation of M-O bond, 555 parameters, 555 Pauling d - character, 555, 617 work function, 555
Coulomb energy, 54,59,81,86 interaction, 83 term, 54,57
Crystal anisotropy, 229,230 growth, 236 cleavage, 3 field, 48,50,63 stabili ty, 50 single, 546,547,548,551
Cubium model, 155 d - band, 45,47,49,54,58,59,63,
64,65,67,68,232 electron, 50,57,75,232,599, 618 level, 55,56 orbital, 75,77 wave function, 46 width, 46,50,67 Pauling's character, 55;,617
Dangling bonds, 58,59,67
INDEX
Debye Waller factor, 280 temperature, 321
Dehydrocyclization, 528,529 Dehydrogenation, 559,608 Defects, 49,51,54,229,235,237
adatom, 81,101,105,106,108 array, 234 cleavage steps, 307 dynamic, 243 extended, 49 kink, 230,231,236,237,245 point, 238 step, 59,230,231,234,236, 237,238,240,241,245,246,248 249 surface, 58,59 terrace, 230,231,234,235,237, 240,249 TLK model, 230,235,238,245 transition metal, 232 vacancy, 59,234,239,241,253 vibration, 240,241,242
Density distribution, 88 gradient, 82,83 matrix, 37, 144 , 149, 156 number, 86 of states, 36,46,49,54,58, 62,64,65,70,77,91,107,119, 132,137,166,175 electron, 81,84,86,93,101, 105 functionnal approach of, 38 41,81,88,92,98,101,108,109 local, 83,84,88,98,164,166, 203 oscillations, 87 packing, 102 surface, 229,230
Diffraction, conditions (LEED), 302 patterns, 271,314,325 spots, 233,248 double, 233 optical, 235
Diffusion, 238,240,243,244,248
INDEX
Dipole, layer, 14,57,58,60,67 moment, 94,95,106,108,237, 241 surface, 55,56,60
Desorption, electron, 18 field, 497 thermal, 16,18,196,585 on alloys, 588 theory of, 586
Dislocation, 235,238 Edge band, 91 Electron,
d, 50,57,75,232,599,618 density, 81,84,86,93,101,105 function, 172 gas (LEED), 82,273,275 mean free path, 254 microscopy, 550
Entropy, configurational, 239 surface, 240,244,246,249
Epitaxy, 254 Equilibrium
shape, 245 topographical, 246,248
629
ESCA, 3, 173,341 ff, 389 ff, 406 ff E.S.R., 505 ff, 507, 508, 5110,
511, 540 Exchange reaction, 562,563,564,
602 Extended X-ray adsorption fine
structure (EXAFS), 352 Faceting, 236,237,247,248 Fermi
level, 46,55,60,65,84,101, 107 operator, 139, 141 surface, 48 wavelength, 89 scattering, 237
spectroscopy, 341 ff, 389 406 ff
ff, Thomas, 82,86,88,108
p(valence),46 s(valence),46,55,67,75
Embedding theory, 40,153,156,159 Energy
band, 91 binding, 105,106,108 cohesive, 46,50 correlation, 39,42,150 Coulomb, 54,59,81,86 analyzer, 488,489 conservation,275 density, 82,92 distribution, 346,488,491, 493,496,501 loss spectroscopy (ELS), 389 ff exchange, 81,82,83,89 Gibbs free, 243,495 kinetic, 81,82,83,88 one electron, 59,60 potential, 38 self, 81,84,86,273 surface, 58,86,94,96,229,236, 243,248,249 zeropoint, 88
Field ionization, 485, 495,496,500
Field emission energy distribution (FEED), 176,203,341 ff,343,348 microscopy, 237
Field ion microscopy, 235,241,242, 258
F.r.S. appearence potential in, 487,497,498,500
F.M.R.,511,512 Free electron model, 125,132,137,
141 Friedel
oscillations, 87,88 sum rule, 57,60,67
Gamma plot, 245,258 Grain boundary, 245 Green
function, 36,40,45,46,67, 140,231 function matrix, 120,124,149, 156,160 method, 59 operator, 37,50,61,119,140
630
Hartree Fock approximation, 38,42,82,139, 144,157 formalism, 275,311 potentlal, 56
HYdrogenation, 554,599,615 of acetylene, 559 of butadiene, 561 of ethylene, 559
HYdrogenolysis, 238,528,564,565, 601
Insertion reaction, 601 Interaction
Coulomb, 83 metal-adsorbate, 517 metal-electron donor or acceptor, 518 metal-support, 520 pairwise, 239,231,246 s-d, 46,50,75,77
Ion bombardement, 3 neutralization spectroscopy (INS), 189 ff, 373,385 ff
LR., 514,540 Isomerization, 528,529 Jellium model, 41,86,125 Lattice, 291 ff
bcc, 65,66,67,68,69,99,230, 232,234 close-packed, 234 fcc, 65,68,99,230,231 ionic, 96,98 Bravais vector, 271,278 coincidence, 233 contraction, 232,233,234,237 effect, 88,90,99,101 expansion, 231,232,237 model, 95 parameter, 49 periodicity, 98 plane, 96,102 potential, 48 superposition, 295 reciprocal, 233,235,297
LCAO-MO,38,40,113,141,144,148, 156
LEED,6,11,98,202,205,212,231,241, 251,271,299 ff, 352,412 ff, 551
INDEX
applications, 299 ff damping length, 274 diffraction conditions,302 intensity analysis, 235, 308 ff, 317,331
Level
Local
layer studies, 277 patterns, 271,314,325 radial flux, 269 reflection, 234 theory, 235,267 ff
atomic, 49,52,59,67 core, 373 Fermi, 46,55,60,65,84,101, 107
state, 63,75 density, 83,84,88,98,164, 166,203
Magnetism, ferro, 511 anti ferro , 171 spin magnetic moment, 505 surface, 67 susceptibility, 46,65
Mass spectrometer quadrupole, 489 time of flight, 489
Mean free path
Metal electron, 254
alkali, 99,101,102,104,108 clean, 229 germanium, 233,234,414 gallium, 258 sellium, 41,86,125 lead, 241,253,254,257,258 liquid, 99 dispersion, 523 evaporation, 526 films, 547,548 powders, 585 oxides, 419 potassium, 255 simple, 86,88,96,98 supported, 523 surface area of, 527 surface of low index, 313 ff transition, 45,46,55,56,75 78,86,106,108,232,233,234, 255,258,412
INDEX
chalcogenate of, 417 copper, 231,235,236,237,246, 253,254 gold, 233,234,255,258,412 ion, 67,69,234,251 iridium, 233 molybdenum, 65,67,232,258 nickel, 67,72,104,235,251, 255,256,258 acetylene on, 432 ff CO, 361,465 ethylene, 477 N20, 411,428 (100)INS spectra, 425 oxydation of, 447 ff palladium, 65 platinum, 233,234,235,238 rhenium, 235 tantalum, 104 tins, 241 tungsten, 65,67,77,104,237, 241,242,258
Miller index, 230 Melting point, 234,240,241,242,243 MINDO, 150 Moment
method, 45,49 of the density of states,49, 54,75
Muffin-tin, 98,101 Oligomerization, 559 Optical properties, 46 Overcompleteness, 114,116,120,
125,134,159 Overlap matrix, 37,116,134,145 Overlayer, 233,255,256 Oxidation, 528,568,569,606 Photoelectron spectroscopy
ultraviolet (UPS), 183,197, 237,262,350 ff, 368,372, 389 ff,406 X-ray (XPS), 3,173,350 ff, 372,389 ff, 406
Photoemission, 65,75 spectroscopy, 341 ff angular resolution of, 368 many body effects in, 372
Poisoning, 550
631
Particle average size of, 523 characterization of, 527 size distribution, 523 size effects, 528,529,530, 531 growth, 524,552,553,555 topography, 560
Phonon spectrum, 242 soft, 234
Potential atomic, 48 chemical, 82,84 electrostatic, 85,87,92,94, 101 Fermi, 487 Hartree-Fock, 56 lattice, 48 local, 84 Morse,231 pairwise, 59,231,232 barrier, 87,98 energy, 60 pseudo, 96,98,99,101,108 self consistent, 98,101,108 single particle, 83 Slater exchange, 275,321
Promotors, 552 Radiotracers, 17 Reaction
consecutive, 538 insertion, 601 isomerization, 528,529 parallel, 539 rate, 538,540 rate measurements
Reactor
closed system, 540,542, 543 gas chromatography, 541 in molecular beams, 549 steady state, 540,542, 543
differential, 541 flow, 544 low pressure single crystal, 546,547,548 pulse micro, 545 tubular, 541
632
Reid's doublet, 282 Resonance, 107
conduction elec~ron, 507 integral, 57 tunneling, 485,491
Response linear, 94,108 static, 94
RHEED, 237 R.P.A., 274 Scattered wave, 268 Scattering
diffuse, 237 inelastic, 274 multiple, 232,274,275,276ff, 278,281,311 reverse, 286
Screening effect, 114,132 Self-consistent
field, 49,54,56,60,64,75,83, 98,275 potential, 98,101,108
Semi-empirical methods, 39,142,150 Shake off satellites in XPS,
398 ff Shake up
effects, 374,379 ff, 382 ff satellites in XPS, 388 ff
Secondary ion mass spectroscopy (S.l.M.S.), 459 ff CrxO;, 465 TiO~, 462
Specific heat, 46 Spin-orbit coupling, 75,77 States
binding, 196 bound, 63,75 charge-transfer, 145,155 d-, 46 density of, 36,46,49,58,70, 78,91,92,107,108,119,132,137, 492,555 extended, 64 ground, 81,84,95 localised, 63,75,78 polar, 145,155 quasi-particle, 91,92,111 resonant, 63,65,67,75 surface, 45,48,63,95,98,101, 125,130,137,490,495
INDEX
States volume, 125
Sticking probability, 198,238 Structure
electronic, 36,122,127,149 surface, 7,54,58,63,75,199, 212,218,229,291 ff, 295
Surface charge transfer on, 14 high index, 234 low index, 233,234 area, 551 characteristics, 550
BET, 550 broadening in X-ray diffraction, 550 electron microscopy, 458 low angle X-ray scattering, 550 physical adsorption, 550
composition from chemisorption, 581 from electron spectrosco-py, 574,576 from ion scattering, 582 from SIMS, 582 from work-function measurement, 577 from X-ray spectroscopy, 574
compounds, 555 coordination, 530,531,532 coverage, 5,15,18 defects, 58,59 density, 229,230 diffusion, 240,241,250 dipole, 55,56,60 disorder, 307 energy, 58,86,94,96,229,236, 243,248,249 entropy, 240,244,246,249 Fermi, 48 layer, 232 melting, 239,240,258 of low index metal, 313 ff plane, 60,62,65,67,75 plasmons, 88 potential, 60 preparation, 3 reconstruction,199,231,233,
INDEX 633
reconstruction, 233 Valence, 234 relaxation energies, 374,428 band, 45,47,50 relaxation process, 57,63,231, p electrons, 46 232,237,261,244,248,372 ff, s electrons, 46,55,75 382 Vibrational properties, 240,241, segregation, 251,262,263 242 semi-infinite model, 270 of lattice, 280 state, 45,58,63,95,98,101,125, of surface, 26 130,137,490,495 Wannier function, 62,63 step, 59 Wave function structure, 7,54,58,63,75,199, atomic, 48,49,50,62 212,218,219,229,291 ff, 295 radial, 47 tension, 54,99,243 matching, 98 thermodynamics, 229,243,244 overlap, 48 vacancy, 59,234 Wetting, 250 valency, 234 Wigner-Seitz cell, 232 work, 236,243,250,253,260 W.K.B. tunneling probability,346 transition metal, 45,54,67 Work function, 14,84,90,96,101, vibrational properties of, 109,205,237,241,242,256,555 26 anisotropy, 55,56,67,95,97, vicinal, 230,231,234,238,246 98,226,236
Titration of supported metals, Wulff construction, 245,246,248, 517,527 250
Tight-Binding model, 37,40,45,46, Xa-SCF-SW, 38,39,41,42,150 49,75,98,146,15~, 160 X-ray spectrum, 46
T-matrix, 268,269,276,277,282,286 X-ray photoelectron spectroscopy Ultraviolet photoelectron spec- (XPS), 262,350 ff, 372, 389
troscopy (UPS), 237,350 ff, ff, 398, 406 368,372,389 ff, 406 Si, 414
U.V., 540 Zero-creep method, 252
