ATOMIC AND ELECTRONIC STRUCTURE OF SOLIDS

By W. PAZIN

CONTENTS I CRYSTALLINE SOLIDS ATOMIC STRUCTURE OF CRYSTALS BUILDING CRYSTALS FROM ATOMS ATOMS WITH NO VALENCE ELECTRONS ATOMS WITH S VALENCE ELECTRONS ATOMS WITH S AND P VALENCE ELECTRONS ATOMS WITH S AND D VALENCE ELECTRONS ATOMS WITH S, D AND F VALENCE ELECTRONS SOLIDS WITH TWO TYPES OF ATOMS HYDROGEN: A SPECIAL ONE-S-VALENCE-ELECTRON ATOM SOLIDS WITH MANY TYPES OF ATOMS BONDING IN SOLIDS FURTHER READING PROBLEMS THE SINGLE-PARTICLE APPROXIMATION THE HAMILTONIAN OF THE SOLID THE HARTREE AND HARTREE–FOCK APPROXIMATIONS THE HARTREE APPROXIMATION EXAMPLE OF A VARIATIONAL CALCULATION THE HARTREE–FOCK APPROXIMATION HARTREE–FOCK THEORY OF FREE ELECTRONS THE HYDROGEN MOLECULE DENSITY FUNCTIONAL THEORY ELECTRONS AS QUASIPARTICLES QUASIPARTICLES AND COLLECTIVE EXCITATIONS THOMAS–FERMI SCREENING THE IONIC POTENTIAL ELECTRONS IN CRYSTAL POTENTIAL PERIODICITY – BLOCH STATES K-SPACE – BRILLOUIN ZONES DYNAMICS OF CRYSTAL ELECTRONS CRYSTAL ELECTRONS IN AN ELECTRIC ?ELD CRYSTAL SYMMETRIES BEYOND PERIODICITY GROUPS AND SYMMETRY OPERATORS SYMMETRIES OF THE BAND STRUCTURE SYMMETRIES OF 3D CRYSTALS SPECIAL K-POINTS BAND STRUCTURE OF CRYSTALS THE TIGHT-BINDING APPROXIMATION EXAMPLE: 1D LINEAR CHAIN WITH S OR P ORBITALS EXAMPLE: 2D SQUARE LATTICE WITH S AND P ORBITALS GENERALIZATIONS OF THE TBA GENERAL BAND-STRUCTURE METHODS BAND STRUCTURE OF REPRESENTATIVE SOLIDS A 2D SOLID: GRAPHITE – A SEMIMETAL 3D COVALENT SOLIDS: SEMICONDUCTORS AND INSULATORS 3D METALLIC SOLIDS APPLICATIONS OF BAND THEORY DENSITY OF STATES TUNNELING AT METAL–SEMICONDUCTOR CONTACT OPTICAL EXCITATIONS CONDUCTIVITY AND DIELECTRIC FUNCTION EXCITONS ENERGETICS AND DYNAMICS THE TOTAL ENERGY FORCES AND DYNAMICS LATTICE VIBRATIONS PHONON MODES THE FORCE-CONSTANT MODEL EXAMPLE: PHONONS IN 2D PERIODIC CHAIN PHONONS IN A 3D CRYSTAL PHONONS AS HARMONIC OSCILLATORS APPLICATION: THE SPECI?C HEAT OF CRYSTALS THE CLASSICAL PICTURE THE QUANTUM MECHANICAL PICTURE THE DEBYE MODEL THERMAL EXPANSION COEF?CIENT APPLICATION: PHONON SCATTERING PHONON SCATTERING PROCESSES THE DEBYE–WALLER FACTOR THE M¨OSSBAUER EFFECT MAGNETIC BEHAVIOR OF SOLIDS MAGNETIC BEHAVIOR OF INSULATORS MAGNETIC BEHAVIOR OF METALS MAGNETIZATION IN HARTREE–FOCK FREE-ELECTRON GAS MAGNETIZATION OF BAND ELECTRONS HEISENBERG SPIN MODEL GROUND STATE OF THE HEISENBERG FERROMAGNET SPIN WAVES IN THE HEISENBERG FERROMAGNET HEISENBERG ANTIFERROMAGNETIC SPIN MODEL MAGNETIC ORDER IN REAL MATERIALS CRYSTAL ELECTRONS IN AN EXTERNAL MAGNETIC ?ELD DE HAAS–VAN ALPHEN EFFECT CLASSICAL AND QUANTUM HALL EFFECTS CONTENTS SUPERCONDUCTIVITY OVERVIEW OF SUPERCONDUCTING BEHAVIOR THERMODYNAMICS OF THE SUPERCONDUCTING TRANSITION BCS THEORY OF SUPERCONDUCTIVITY COOPER PAIRING BCS GROUND STATE BCS THEORY AT ?NITE TEMPERATURE THE MCMILLAN FORMULA FOR TC HIGH-TEMPERATURE SUPERCONDUCTORS II DEFECTS, NON-CRYSTALLINE SOLIDS AND ?NITE STRUCTURES DEFECTS I: POINT DEFECTS INTRINSIC POINT DEFECTS ENERGETICS AND ELECTRONIC LEVELS DEFECT-MEDIATED DIFFUSION EXTRINSIC POINT DEFECTS IMPURITY STATES IN SEMICONDUCTORS EFFECT OF DOPING IN SEMICONDUCTORS THE P–N JUNCTION METAL–SEMICONDUCTOR JUNCTION DEFECTS II: LINE DEFECTS NATURE OF DISLOCATIONS ELASTIC PROPERTIES AND MOTION OF DISLOCATIONS STRESS AND STRAIN ?ELDS ELASTIC ENERGY PEIERLS–NABARRO MODEL BRITTLE VERSUS DUCTILE BEHAVIOR STRESS AND STRAIN UNDER EXTERNAL LOAD BRITTLE FRACTURE – GRIF?TH CRITERION DUCTILE RESPONSE – RICE CRITERION DISLOCATION–DEFECT INTERACTIONS DEFECTS III: SURFACES AND INTERFACES EXPERIMENTAL STUDY OF SURFACES SURFACE RECONSTRUCTION DIMERIZATION: THE SI(001) SURFACE RELAXATION: THE GAAS(110) SURFACE ADATOMS AND PASSIVATION: THE SI(111) SURFACE GROWTH PHENOMENA INTERFACES GRAIN BOUNDARIES HETERO-INTERFACES NON-CRYSTALLINE SOLIDS QUASICRYSTALS AMORPHOUS SOLIDS CONTINUOUS RANDOM NETWORK RADIAL DISTRIBUTION FUNCTION ELECTRON LOCALIZATION DUE TO DISORDER POLYMERS STRUCTURE OF POLYMER CHAINS AND SOLIDS THE GLASS AND RUBBER STATES FINITE STRUCTURES CLUSTERS METALLIC CLUSTERS CARBON CLUSTERS CARBON NANOTUBES OTHER COVALENT AND MIXED CLUSTERS BIOLOGICAL MOLECULES AND STRUCTURES THE STRUCTURE OF DNA AND RNA THE STRUCTURE OF PROTEINS RELATIONSHIP BETWEEN DNA, RNA AND PROTEINS PROTEIN STRUCTURE AND FUNCTION