Electronic Structures and the Properties of Solids | Walter A Harrison (2007)

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Electronic Structures and the Properties of Solids | Walter A Harrison

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Автор Walter A. Harrison

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Part I. Electron states 1. The quantum-mechanical basisA. Quantum mechanicsB. Electronic structure of atomsC. Electronic structure of small moleculesD. The simple polar bondE. Diatomic molecules 2. Electronic structure of solidsA. Energy bandsB. Electron dynamicsC. Characteristic solid typesD. Solid state matrix elementsE. Calculation of spectraPart II. Covalent solids 3. Electronic structure of simple tetrahedral solidsA. Crystal structuresB. Bond orbitalsC. The LCAO bandsD. The bond orbital approximation and extended bond orbitalsE. MetallicityF. Planar and filamentary structures 4. Optical spectraA. Dielectric susceptibilityB. Optical properties and oscillator strengthsC. Features of the absorption spectrumD. chi subscript 1 and the dielectric constant 5. Other dielectric propertiesA. Bond dipoles and higher-order susceptibilitiesB. Effective atomic chargeC. Dielectric screeningD. Ternary compoundsE. Magnetic susceptibility 6. The energy bandsA. Accurate band structuresB. LCAO Interpretation of the bandsC. The conduction bandsD. Effective massesE. Impurity states and excitons 7. The total energyA. The overlap interactionB. Bond length, cohesive energy, and the bulk modulusC. Cohesion in polar covalent solids 8. ElasticityA. Total energy calculationsB. Rigid hybridsC. RehybridizationD. The Valence force fieldE. Internal displacements, and prediction of c subscript 44 9. Lattice VibrationsA. The Vibration spectrumB. Long range forcesC. Phonons and the specific heatD. The transverse chargeE. PiezoelectricityF. The Electron-phonon interaction 10. Surfaces and defectsA. Surface energy and crystal shapesB. Surface reconstructionC. The elimination of surface states, and Fermi level pinningD. Adsorption of atoms and the 7 x 7 reconstruction patternE. Defects and amorphous semiconductorsF. Photothresholds and heterojunctions 11. Mixed tetrahedral solidsA. Tetrahedral complexesB. The crystal structure and the simple molecular latticeC. The bonding unitD. Bands and electronic spectraE. Mechanical propertiesF. Vibrational spectraG. Coupling of vibrations to the infraredPart III Closed-shell systems 12. Inert-gas solidsA. Interatomic interactionsB. Electronic properties 13. Ionic compoundsA. The crystal structureB. Electrostatic energy and the Madelung potentialC. Ion-Ion InteractionsD. Cohesion and Mechanical PropertiesE. Structure Determination and Ionic Radii 14. Dielectric properties of ionic crystalsA. Electronic structure and spectraB. Dielectric susceptibilityC. Effective charges and ion softeningD. Surfaces and molten ionic compoundsPart IV Open-shell systems 15. Simple metalsA. History of the theoryB. The Free-electron theory of metalsC. Electrostatic energyD. The empty-core pseudopotentialE. Free-electron energyF. Density, bulk modulus, and cohesion 16. Electronic structure of metalsA. Pseudopotential perturbation theoryB. Pseudopotentials in the perfect latticeC. Electron diffraction by pseudopotentialsD. Nearly-free-electron bands and Fermi surfacesE. Scattering by defectsF. Screening 17. Mechanical properties of metalsA. The band-structure energyB. The effective interaction between ions, and higher-order termsC. The phonon spectrumD. The electron-phonon interaction and the electron-phonon coupling constantE. Surfaces and liquids 18. Pseudopotential theory of covalent bondingA. The prediction of interatomic matrix elementsB. The Jones zone gapC. Covalent and polar contributionsD. SusceptibilityE. Bonding propertiesF. Ionic bondingG. Interfaces and Heterojunctions 19. Transition-metal compoundsA. d States in solidsB. Monoxides: Miltiplet d StatesC. Perovskite structures; d BandsD. Other compoundsE. The Perovskite ghostF. The chemical gripG. The electrostatic stability of PerovskitesH. The electron-phonon interaction 20 Transition metalsA. The bandsB. The electronic properties and density of statesC. Cohesion, bond length, and compressibilityD. Muffin-Tin Orbitals and the Atomic Sphere ApproximationE. d Resonances and transition-metal pseudopotentialsF. Local moments and magnetismAppendix A. The One-electron approximationAppendix B. Nonorthogonality of basis statesAppendix C. The overlap interactionAppendix D. Quantum-mechanical formulation of pseudopotentialsAppendix E. Orbital corrections Solid state table of the elements Bibliography and author index Subject index
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