Inhaltsangabe
Content.- 1. Atomic Configuration of Point Defects.- 1.1 Definition of Point Defects.- 1.2 Geometrical Configuration of Point Defects.- 1.2.1 The Vacancy.- 1.2.2 The Divacancy.- 1.2.3 The Interstitial.- 1.2.4 Complex Defects.- 1.2.5 Aggregates.- 1.3 Lattice Distortion and Relaxation.- 1.4 Defect Symmetry and Group Theory.- 1.4.1 Factorization of the Hamiltonian.- 1.4.2 Irreducible Representations.- 1.4.3 The example of the Vacancy in the Diamond Lattice.- 1.4.4 Various Points of Interest.- 1.4.5 Basis Functions for Irreducible Representations.- 1.4.6 Simplification of Matrix Elements by Symmetry.- 1.5 Experimental Determination of Defect Symmetry.- 1.5.1 Splitting Under Unaxial Stress.- a) General Considerations.- b) Splitting of a Twofold Degenerate E State in the Group Td.- c) The Case of a T2 State.- d) Lowering of Symmetry and Orientational Degeneracy.- 1.5.2 Dipolar Transitions.- 1.5.3 Other Excitations.- 2. Effective Mass Theory.- 2.1 Simplified Presentation.- 2.2 Derivation in the One-Band Case.- 2.2.1 The Case of One Band with One Extremum.- 2.2.2 The Case of Equivalent Extrema.- 2.2.3 Validity of the Approximations.- 2.2.4 Generalization to the Case of a Degenerate Extremum.- 2.3 Pairing Effects.- 2.3.1 An Electron Bound to a Donor-Acceptor Pair.- 2.3.2 The Neutral Donor-Acceptor Pair.- 2.3.3 Density of States.- 2.4 Experimental Observation of Shallow Levels.- 2.4.1 Experimental Techniques.- 2.4.2 Results.- 2.4.3 Pairing Effects.- 3. Simpte Theory of Deep Levels in Semiaonductors.- 3.1 The Elementary Tight-Binding Theory of Defects.- 3.1.1 Basic Principles of the Tight-Binding Approximation.- 3.1.2 The Tight Binding Matrix Elements for Sp Covalently Bonded Solids.- 3.1.3 Formation of the Band Structure.- a) The Molecular Model.- b) Broadening Effects: A Simple Description.- c) Refi nements.- 3.1.4 The Vacancy in a Covalently Bonded Linear Chain.- 3.1.5 The Vacancy in a Covalent Crystal.- 3.1.6 The Interstitial.- 3.1.7 The Substitutional Impurity.- 3.2 Green's Function Theory of Defects: Tight Binding Application.- 3.2.1 Relation Between the Resolvant or Green's Operator and the Density of States.- 3.2.2 Local Densities of States and Green's Functions.- 3.2.3 Green's Function Treatment of Local Perturbations.- 3.2.4 Application to the Koster-Slater Problem.- 3.2.5 Green's Function and Method of Moments.- 3.2.6 Green's Function for a Semiinfinite Chain: Application to the Vacancy.- 3.2.7 Refined Tight-Binding Green's Functions Treatments.- 4. Many-Electron Effects and Sophisticated Theories of Deep Levels.- 4.1 One-Electron Self-Consistent Calculations.- 4.1.1 Charge-Dependent Tight-Binding Treatment.- 4.1.2 The Model of HALDANE and ANDERSON.- 4.1. 3 The CNDO Method.- 4.1.4 The Extended Hückel Theory.- 4.1.5 Self-Consistent Green's Function Calculations.- 4.1.6 A Thomas-Fermi Interpretation of the Self-Consistent Potential.- 4.2 Many-electron effects. The configuration interaction.- 4.2.1 The H2 Molecule.- a) Notations.- b) Exact Solution.- c) Restricted Hartree-Fock Solution and Configuration Interaction.- d) Unrestricted Hartree-Fock Solution.- e) Direct Use of Symmetry Properties.- 4.2.2 The Vacancy in Covalent Systems.- a) Description of the Model.- b) The Different Configurations.- c) Discussion of the Results.- d) Validity of the One-Electron Theories.- 5. Vibrational Properties and Entropy.- 5. 1 Vibrational Modes.- 5.1.1 The Dynamical Matrix.- 5.1.2 The Linear Chain.- 5.1.3 The Linear Chain with Two Atoms Per Unit Cell.- 5.1.4 The Covalent Solid.- 5.2 Localized Modes Due to Defects.- 5.2.1 The Mass Defect in the Monoatomic Linear Chain.- 5.2.2 The Mass Defect in the General Case.- 5.2.3 Expansion of the Greeen's Function.- 5.2.4 The Vacancy.- 5.3 Experimental Determination of Vibrational Modes.- 5.4 Vibrational Entropy.- 5.4.1 General Expression.- 5.4.2 Expansion in Moments.- 5.4.3 The Vacancy.- 5.4.4 The Vacancy in Covalent Materials.- a) Entropy of Formation.- b) Entropy of Migration.- 5.4.5 Exact Ca
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