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Table Of Contents

Crystalline solids
Atomic structure of crystals
1.1 Building crystals from atoms
1.1.1 Atoms with no valence electrons
1.1.2 Atoms with s valence electrons
1.1.3 Atoms with s and p valence electrons
1.1.4 Atoms with s and d valence electrons
1.1.5 Atoms with s, d and f valence electrons
1.1.6 Solids with two types of atoms
1.1.7 Hydrogen: a special one-s-valence-electron atom
1.1.8 Solids with many types of atoms
1.2 Bonding in solids
Further reading
The single-particle approximation
2.1 The hamiltonian of the solid
2.2 The Hartree and Hartree–Fock approximations
2.2.1 The Hartree approximation
2.2.2 Example of a variational calculation
2.2.3 The Hartree–Fock approximation
2.3 Hartree–Fock theory of free electrons
2.4 The hydrogen molecule
2.5 Density Functional Theory
2.6 Electrons as quasiparticles
2.6.1 Quasiparticles and collective excitations
2.6.2 Thomas–Fermi screening
2.7 The ionic potential
Electrons in crystal potential
3.1 Periodicity – Bloch states
3.2 k-space – Brillouin zones
3.3 Dynamics of crystal electrons
3.4 Crystal electrons in an electric field
3.5 Crystal symmetries beyond periodicity
3.6 Groups and symmetry operators
3.7 Symmetries of the band structure
3.8 Symmetries of 3D crystals
3.9 Special k-points
Band structure of crystals
4.1 The tight-binding approximation
4.1.1 Example: 1D linear chain with s or p orbitals
4.1.3 Generalizations of the TBA
4.2 General band-structure methods
4.3 Band structure of representative solids
4.3.1 A 2D solid: graphite – a semimetal
4.3.3 3D metallic solids
Applications of band theory
5.1 Density of states
5.2 Tunneling at metal–semiconductor contact
5.3 Optical excitations
5.4 Conductivity and dielectric function
5.5 Excitons
5.6 Energetics and dynamics
5.6.1 The total energy
Lattice vibrations
6.1 Phonon modes
6.2 The force-constant model
6.2.1 Example: phonons in 2D periodic chain
6.2.2 Phonons in a 3D crystal
6.3 Phonons as harmonic oscillators
6.4 Application: the specific heat of crystals
6.4.1 The classical picture
6.4.2 The quantum mechanical picture
6.4.3 The Debye model
6.4.4 Thermal expansion coefficient
6.5 Application: phonon scattering
6.5.1 Phonon scattering processes
6.5.2 The Debye–Waller factor
6.5.3 The M¨ossbauer effect
Magnetic behavior of solids
7.1 Magnetic behavior of insulators
7.2 Magnetic behavior of metals
7.2.2 Magnetization of band electrons
7.3 Heisenberg spin model
7.3.1 Ground state of the Heisenberg ferromagnet
7.3.2 Spin waves in the Heisenberg ferromagnet
7.3.3 Heisenberg antiferromagnetic spin model
7.4 Magnetic order in real materials
7.5 Crystal electrons in an external magnetic field
7.5.1 de Haas–van Alphen effect
7.5.2 Classical and quantum Hall effects
8.1 Overview of superconducting behavior
8.2 Thermodynamics of the superconducting transition
8.3 BCS theory of superconductivity
8.3.1 Cooper pairing
8.3.2 BCS ground state
8.3.3 BCS theory at finite temperature
8.3.4 The McMillan formula for Tc
8.4 High-temperature superconductors
Defects, non-crystalline solids and finite structures
Defects I: point defects
9.1 Intrinsic point defects
9.1.1 Energetics and electronic levels
9.1.2 Defect-mediated diffusion
9.2 Extrinsic point defects
9.2.1 Impurity states in semiconductors
9.2.2 Effect of doping in semiconductors
9.2.3 The p–n junction
9.2.4 Metal–semiconductor junction
Defects II: line defects
10.1 Nature of dislocations
10.2 Elastic properties and motion of dislocations
10.2.1 Stress and strain fields
10.2.2 Elastic energy
10.2.3 Peierls–Nabarro model
10.3 Brittle versus ductile behavior
10.3.1 Stress and strain under external load
10.3.2 Brittle fracture – Griffith criterion
10.3.3 Ductile response – Rice criterion
10.3.4 Dislocation–defect interactions
Defects III: surfaces and interfaces
11.1 Experimental study of surfaces
11.2 Surface reconstruction
11.2.1 Dimerization: the Si(001) surface
11.2.2 Relaxation: the GaAs(110) surface
11.2.3 Adatoms and passivation: the Si(111) surface
11.3 Growth phenomena
11.4.2 Hetero-interfaces
Non-crystalline solids
12.1 Quasicrystals
12.2 Amorphous solids
12.2.1 Continuous random network
12.2.2 Radial distribution function
12.2.3 Electron localization due to disorder
12.3.2 The glass and rubber states
Finite structures
13.1 Clusters
13.1.1 Metallic clusters
13.1.2 Carbon clusters
13.1.3 Carbon nanotubes
13.1.4 Other covalent and mixed clusters
13.2 Biological molecules and structures
13.2.1 The structure of DNA and RNA
13.2.2 The structure of proteins
13.2.4 Protein structure and function
Elements of classical electrodynamics
A.1 Electrostatics and magnetostatics
A.2 Fields in polarizable matter
A.3 Electrodynamics
A.4 Electromagnetic radiation
B.1 The Schr¨odinger equation
B.3.3 Coulomb potential
B.4 Spin angular momentum
B.5 Stationary perturbation theory
B.5.2 Degenerate perturbation theory
B.6 Time-dependent perturbation theory
B.7 The electromagnetic field term
C.3 Application: phase transitions
D.1 Average occupation numbers
D.1.2 Quantum Fermi–Dirac statistics
D.1.3 Quantum Bose–Einstein statistics
D.2 Ensemble theory
D.2.1 Definition of ensembles
D.2.2 Derivation of thermodynamics
D.3 Applications of ensemble theory
D.3.1 Equipartition and the Virial
D.3.2 Ideal gases
D.3.3 Spins in an external magnetic field
E.1 The strain tensor
E.2 The stress tensor
E.4 Strain energy density
E.5 Applications of elasticity theory
E.5.1 Isotropic elastic solid
E.5.2 Plane strain
E.5.3 Solid with cubic symmetry
F.1 Potential of a gaussian function
F.2 The Ewald method
G.1 Differential operators
G.2 Power series expansions
G.3 Functional derivatives
G.4 Fourier and inverse Fourier transforms
G.5 The δ-function and its Fourier transform
G.5.1 The δ-function and the θ-function
G.5.2 Fourier transform of the δ-function
G.5.3 The δ-function sums for crystals
G.6 Normalized gaussians
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Atomic and Electronic Structure of Solids, Kaxiras E, CUP 2003

Atomic and Electronic Structure of Solids, Kaxiras E, CUP 2003

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Published by: Mj Jiménez on May 26, 2012
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