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Atomic and Electronic Structure of Solids

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ISBN-10: 0521523397

ISBN-13: 9780521523394

Edition: 2002

Authors: Efthimios Kaxiras

List price: $131.00
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This text is a modern treatment of the theory of solids. The core of the book deals with the physics of electron and phonon states in crystals and how they determine the structure and properties of the solid. The discussion uses density functional theory as a starting point and covers electronic and optical phenomena, magnetism and superconductivity. There is also an extensive treatment of defects in solids, including point defects, dislocations, surfaces and interfaces. A number of modern topics where the theory of solids applies are also explored, including quasicrystals, amorphous solids, polymers, metal and semiconductor clusters, carbon nanotubes and biological macromolecules. Numerous…    
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Book details

List price: $131.00
Copyright year: 2002
Publisher: Cambridge University Press
Publication date: 1/9/2003
Binding: Paperback
Pages: 700
Size: 6.75" wide x 9.50" long x 1.25" tall
Weight: 3.190
Language: English

Efthimios Kaxiras received his PhD in theoretical physics at the Massachusetts Institute of Technology, and worked as a Postdoctotal Fellow at the IBM T.J. Watson Research Laboratory in Yorktown Heights. He joined Harvard University in 1991 where he is currently a Professor of Physics and the Gordon McKay Professor of Applied Physics. He has worked on theoretical modeling of the properties of solids, including their surfaces and defects; he has published over 130 articles in refereed journals, including several invited review articles and book chapters. He has also presented his work in international conferences and workshops throughout the world, through more than 70 invited lectures. He…    

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
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
Further reading
Electrons in crystal potential
Periodicity--Bloch states
k-space--Brillouin zones
Dynamics of crystal electrons
Crystal electrons in an electric field
Crystal symmetries beyond periodicity
Groups and symmetry operators
Symmetries of the band structure
Symmetries of 3D crystals
Special k-points
Further reading
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
Further reading
Applications of band theory
Density of states
Tunneling at metal--semiconductor contact
Optical excitations
Conductivity and dielectric function
Energetics and dynamics
The total energy
Forces and dynamics
Further reading
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 specific heat of crystals
The classical picture
The quantum mechanical picture
The Debye model
Thermal expansion coefficient
Application: phonon scattering
Phonon scattering processes
The Debye-Waller factor
The Mossbauer 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 field
de Haas-van Alphen effect
Classical and quantum Hall effects
Further reading
Overview of superconducting behavior
Thermodynamics of the superconducting transition
BCS theory of superconductivity
Cooper pairing
BCS ground state
BCS theory at finite temperature
The McMillan formula for T[subscript c]
High-temperature superconductors
Further reading
Defects, non-crystalline solids and finite 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
Further reading
Defects II: line defects
Nature of dislocations
Elastic properties and motion of dislocations
Stress and strain fields
Elastic energy
Peierls-Nabarro model
Brittle versus ductile behavior
Stress and strain under external load
Brittle fracture - Griffith criterion
Ductile response - Rice criterion
Dislocation-defect interactions
Further reading
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
Grain boundaries
Further reading
Non-crystalline solids
Amorphous solids
Continuous random network
Radial distribution function
Electron localization due to disorder
Structure of polymer chains and solids
The glass and rubber states
Further reading
Finite structures
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
Further reading
Elements of classical electrodynamics
Electrostatics and magnetostatics
Fields in polarizable matter
Electromagnetic radiation
Further reading
Elements of quantum mechanics
The Schrodinger equation
Bras, kets and operators
Solution of the TISE
Free particles
Harmonic oscillator potential
Coulomb potential
Spin angular momentum
Stationary perturbation theory
Non-degenerate perturbation theory
Degenerate perturbation theory
Time-dependent perturbation theory
The electromagnetic field term
Further reading
Elements of thermodynamics
The laws of thermodynamics
Thermodynamic potentials
Application: phase transitions
Elements of statistical mechanics
Average occupation numbers
Classical Maxwell-Boltzmann statistics
Quantum Fermi-Dirac statistics
Quantum Bose-Einstein statistics
Ensemble theory
Definition of ensembles
Derivation of thermodynamics
Applications of ensemble theory
Equipartition and the Virial
Ideal gases
Spins in an external magnetic field
Further reading
Elements of elasticity theory
The strain tensor
The stress tensor
Stress-strain relations
Strain energy density
Applications of elasticity theory
Isotropic elastic solid
Plane strain
Solid with cubic symmetry
Further reading
The Madelung energy
Potential of a gaussian function
The Ewald method
Mathematical tools
Differential operators
Power series expansions
Functional derivatives
Fourier and inverse Fourier transforms
The [delta]-function and its Fourier transform
The [delta]-function and the [theta]-function
Fourier transform of the [delta]-function
The [delta]-function sums for crystals
Normalized gaussians
Nobel prize citations
Units and symbols