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

Problems

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

Superconductivity

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

References

Index