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Harrison W.A. — Elementary electronic structure
Harrison W.A. — Elementary electronic structure



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Название: Elementary electronic structure

Автор: Harrison W.A.

Аннотация:

This text presents an account of analytic electronic structure, to be distinguished from computational electronic structure. Both are based upon a one-electron approximation, local-density theory, and the determination of the quantum-mechanical electronic states. They both seek to predict the properties of the resulting solids, or molecules on the basis of these states.In the computational mode, the minimum number of approximations are used, and numerical solutions are sought. Here we seek instead to focus on the most important aspects of the solution, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. This reducing of the problem to basics is almost always less accurate that the computational solution, but has the advantage that it displays the dependence of any property on the parameters of the system. It gives us an understanding of the property in a sense that a numerical solution, or a direct measurement, cannot.


Язык: en

Рубрика: Физика/

Серия: Библиотека «Математическое просвещение»

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Год издания: 1999

Количество страниц: 819

Добавлена в каталог: 19.03.2006

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
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Предметный указатель
Scattering, alloys of semiconductors      304ff
Scattering, defects in simple metals      474
Scattering, electrons in liquids      507
Scattering, normal and Umklapp      479
Scattering, phase shifts      628
Scattering, phonons in semiconductors      290ff
Scattering, phonons in simple metals      479
Schottky barrier      747
Schroedinger equation      4
Schroedinger Equation, radial      446 481 482
screening      287ff
Screening, Debye — Hlickel      289
Screening, Energy — Wavenumber Characteristic      485
Screening, Fermi — Thomas      289 457ff 485
Screening, interatomic interactions, simple metals      491
Screening, pseudopotentials in simple metals      456
Screening, quantum      462 463 485
Screw-axis symmetry      56 125 190 276
Second moment of bands      94ff
Second moment of bands, Friedel Model      560ff
Second-neighbor coupling      20 558
Second-neighbor interactions, ionic crystals      558
Second-order susceptibility      152ff
Selenium      752—754
Self-Interaction Corrections      597ff
Semiconductors, adsorption of atoms      749ff
Semiconductors, alloys      294ff 322pr
Semiconductors, ball-and-stick model for forces      137
Semiconductors, bond length, table      60
Semiconductors, bond length, trends      85ff
Semiconductors, Bond-Orbital Approximation      70ff
Semiconductors, cohesive energy      70ff
Semiconductors, Coulomb effects      69
Semiconductors, covalency      63
Semiconductors, crystal structure      53ff
Semiconductors, d-state role      672ff
Semiconductors, dangling hybrids      314
Semiconductors, defects      313ff
Semiconductors, dielectric function      289 459
Semiconductors, dielectric properties      142ff
Semiconductors, diffusion      322
Semiconductors, direct and indirect gaps      224
Semiconductors, effective masses      226ff
Semiconductors, elastic constants      108ff
Semiconductors, electron-phonon interaction      255ff
Semiconductors, electrooptic effect      174
Semiconductors, energy bands      179ff
Semiconductors, energy bands, full bands, figure      204 205
Semiconductors, energy gap      64
Semiconductors, essential electronic structure      32 33
Semiconductors, force constants      86
Semiconductors, force constants, models      131ff
Semiconductors, graphitic distortion      110 113ff
Semiconductors, Gruneisen constant      89ff
Semiconductors, impurity states      307
Semiconductors, infra-red absorption      175ff
Semiconductors, interfaces      738ff
Semiconductors, interfaces with metals      747
Semiconductors, internal displacements      113ff 161ff
Semiconductors, ionicity      142 143
Semiconductors, long-range forces      134
Semiconductors, Madelung potential      82
Semiconductors, metallic energy      63
Semiconductors, parameters for electronic structure      60
Semiconductors, polar      34 61ff
Semiconductors, polarity      62
Semiconductors, polarons      210ff
Semiconductors, promotion energy      70—73
Semiconductors, pseudopotential theory for      508ff
Semiconductors, reconstruction      50 715 731ff
Semiconductors, scattering, alloys      304ff
Semiconductors, scattering, electron-phonon      290ff
Semiconductors, surfaces      49 50
Semiconductors, surfaces, energy      715ff
Semiconductors, surfaces, reconstruction      715 731ff
Semiconductors, transverse charge      161ff
Semiconductors, valence-band maximum      214ff 240ff
Semiconductors, vibrational modes      120ff
Semiconductors, vibrational modes, optical mode frequency table      211
Semiconductors, vibrational modes, summary      130
Semiconductors, volume dependence of energy      84ff
Semimetals      771
Shear constants      see “Elastic constants”
Shell model (interatomic interaction)      132
Shockley — Read recombination (radiationless)      321
Sigma states      22
Silicon      see “Semiconductors”
Silicon dioxide      399ff
Silicon dioxide, angular forces      411ff
Silicon dioxide, cohesive energy      406ff
Silicon dioxide, crystal structure      400ff
Silicon dioxide, dielectric properties      418ff
Silicon dioxide, elasticity      414ff
Silicon dioxide, energy bands      421ff
Silicon dioxide, force constant      410ff
Silicon dioxide, summary of study      424
Silicon dioxide, transverse charge      419
Silicon dioxide, vibrational frequencies      417
Silicon diphosphide      430ff
Silicon, liquid      35
Silicon, vibration spectrum (figure)      124
Simple metals, alloys      513ff
Simple metals, bonding properties      483ff
Simple metals, bulk modulus      443 494 496
Simple metals, cohesive energy      440ff
Simple metals, crystal structures      435ff
Simple metals, elastic constants      488
Simple metals, electronic structure, history      434
Simple metals, free-electron energy      449ff
Simple metals, Gruneisen constant      499 500
Simple metals, interatomic interactions      490
Simple metals, interfaces with semiconductors      747
Simple metals, liquid metals      504ff
Simple metals, Madelung energy      450
Simple metals, surface energy      716ff
Simple metals, vibrational frequencies      483ff 500ff
Simple metals, work functions      729 730
Skewness, semiconductors      65
Slater — Koster tables      546
Soft modes      372
Solid-State Table, at end of book for organizing solids      34
Sound, speed, semiconductors      125
Sound, speed, simple metals      483ff 500ff
sp-hybrid      see “Hybrids”
sp-hybrids      see “Hybrid states”
Special points, in the BZ      348ff 709ff
Spherical Bessel functions      537 762
Spherical harmonics      6 762 774
Spin-bag, cuprates      712
Spin-density wave      709
Spin-orbit coupling      199ff
Spin-orbit coupling, effect on deformation potentials      267ff
Spin-orbit coupling, effect on magnetic moments      590
Spin-orbit coupling, f-shell metals      607 608 622
Spin-orbit coupling, matrix elements      200
Spin-orbit coupling, strain-layer superlattices      747
Spin-orbit coupling, table of parameters      201
Spin-orbit coupling, valence-band splitting      201ff 240ff
Stacking fault      489
Static dielectric susceptibility, ionic crystals      395ff
Static dielectric susceptibility, semiconductors, table      211
Static dielectric susceptibility, semiconductors, theory      165ff
Static dielectric susceptibility, silicon dioxide      420
Static effective charge      see “Effective charge”
Stoichiometry      401
Strain-layer superlattices      745ff
Strains, elastic      108ff
Strains, elastic, effects on dielectric properties      170ff
Structure      see “Crystal structure”
Structure factors      456
Structure factors, liquids      504ff
Structure factors, phonons      476
Subbands, for thin layers      719
Sulfates      425ff
Sulfur      752—754
Supercell calculations      319
Superconductivity      481 711ff 774
Surface energies, ionic crystals      716
Surface energies, semiconductors      715
Surface energies, simple metals      716ff
Surfaces      49 714ff
Surfaces, adsorption of atoms on      749ff
Surfaces, interaction between      723
susceptibility      see “Dielectric susceptibility” and “Magnetic susceptibility”
Symmetry, arguments for energy bands      189
Symmetry, broken      595 640
Symmetry, ignoring to advantage      760 777
Symmetry, implications for deformation potentials      255
Symmetry, impurity states, use for      309
Symmetry, operations      154
Symmetry, optical matrix elements      227 228
Symmetry, screw-axis      55 125 190
Tellurium      752—754
Ten-electron compounds      see “Ionic crystals”
Ten-electron compounds, susceptibility      385 398ff
Term values (atomic)      7
Term values (atomic), Hartree — Fock vs. ionization potentials      10 676
Term values (atomic), Hartree — Fock vs. LDA      195 675 676
Term values (atomic), table for d-states      645 674 695
Term values (atomic), table for f-states (actinides)      683
Term values (atomic), table for s- and p-states      9
Thallium arsenic selenide      429 769
Theoretical alchemy      34
Theoretical alchemy, applied to $\mathrm{H}_2$ and the central hydrides      51 780ff
Theoretical alchemy, ionic compounds      328
Theoretical alchemy, semiconductor surfaces      734 735
Thermal expansion coefficient      92
Thomas — Fermi theory      457ff (see also “Fermi — Thomas theory”)
Tight-Binding Method      12
Titanates      692
Transition rates      38 39
Transition-metals      530ff
Transition-metals, $\mathrm{Nb_3Sn}$      592pr
Transition-metals, alloys      578ff
Transition-metals, atomic series      8 10
Transition-metals, bulk modulus      574 575
Transition-metals, cohesion      569
Transition-metals, compounds      47 48 641ff
Transition-metals, compounds, bulk modulus      66
Transition-metals, compounds, cohesion      647 667
Transition-metals, compounds, correlation energy      668
Transition-metals, compounds, cuprates      704ff
Transition-metals, compounds, dioxides      688
Transition-metals, compounds, energy bands      652ff
Transition-metals, compounds, energy gap      647
Transition-metals, compounds, interfaces with semiconductors      747
Transition-metals, compounds, metal-insulator transition      670
Transition-metals, compounds, octet compounds      647
Transition-metals, compounds, parameters for      642ff
Transition-metals, compounds, parameters for, tables      644 645 660 661
Transition-metals, compounds, perovskites, trioxides      692ff
Transition-metals, compounds, summary of electronic structure      652
Transition-metals, core radii      539 573 574
Transition-metals, density of states      552ff
Transition-metals, elastic constants      584ff
Transition-metals, electronic structure of metal      45
Transition-metals, energy bands      545ff
Transition-metals, Fermi surface and density of states      550ff
Transition-metals, ferromagnetism      586ff
Transition-metals, Gruneisen constant      575 576
Transition-metals, impurity levels in semiconductors      745
Transition-metals, interatomic interactions      582ff
Transition-metals, parameters for table      539
Transition-metals, pseudopotential      532
Transition-metals, pseudopotential, local approximation      541
Transition-metals, structure determination      576ff
Transition-metals, volume-dependent energy      571ff
Translational symmetry      57
Transverse charge, fluorite      398pr
Transverse charge, ionic crystals      392ff
Transverse charge, ionic crystals, table      391
Transverse charge, semiconductors      161ff
Transverse charge, silicon dioxide      419
Twist distortion of semiconductors      111ff
Type-II band line-up      744
U-values, d-states      46
U-values, defined      10
U-values, table, s, p-states      9
Ungerade symmetry      26
Unitary matrices      73 95
United-atom model      780
Units, $e^2$ and film      2
Universal tight-binding parameters      24 194
Unrestricted Hartree — Fock      595ff
Vacancy, semiconductors      314ff
Vacancy, simple metals      489
Vacuum level      215
Valence band      64
Valence band, maximum, formula      215
Valence band, maximum, table      215
Valence band, spin-orbit splitting      201ff 240ff
Valence force fields      see “Force constants”
Van der Waals interaction      354 761 765ff
Van Vleck term in magnetic susceptibility      159 160
Variational calculation, for tight-binding states      17
Vegard’s Law      298 523
Vibrational frequencies      see also “Optical vibrational modes”
Vibrational frequencies, cuprates      711 713pr
Vibrational frequencies, one-dimensional chain      121ff
Vibrational frequencies, semiconductors      120ff
Vibrational frequencies, semiconductors, summarized      130
Vibrational frequencies, silicon dioxide      417ff
Vibrational frequencies, simple metals      486ff 500ff 529pr
Virial Theorem applied to d-states      43
Virial Theorem applied to d-states, inert-gas solids      762
Virial Theorem applied to d-states, ionic crystals      354
Virial Theorem applied to d-states, semiconductors      66
Virtual crystal      304
Vitreous silica      400 403
Volume-dependence of energy, actinide compounds      682ff
Volume-dependence of energy, actinides      619ff
Volume-dependence of energy, ionic crystals      350ff 361ff 374ff
Volume-dependence of energy, rare earths      616ff
Volume-dependence of energy, semiconductors      84
Volume-dependence of energy, simple metals      492ff
Volume-dependence of energy, transition metals      571ff
Volume-dependence of energy, transition-metal compounds      661ff
Wannier functions      213
wavefunction      1
Wavefunction, for semiconductor bands      198
Wavenumber, k      2 18
Wavenumber, k, lattice      183
Wavenumber, k, solids      180ff
Wigner — Seitz sphere      554
Work functions      40
Work functions, metals      729 730
Work functions, semiconductors      728 (see also “Photothreshold”)
Wurtzite structure      57
Wurtzite structure, semiconductors with structure      60
Zen’s law      523 580
Zincblende structure      53ff
1 2 3 4
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