لایب سان

Ebook details:
عنوان: Theoretical Modelling of Semiconductor Surfaces: Microscopic Studies of Electrons and Phonons (Microscopic Studies of Electrons & Phonons)
نویسنده: G. P. Srivastava
ناشر: World Scientific Pub Co Inc (February 1, 2000)
زبان: English
شابک: 981023306X, 978-9810233068
حجم: 65 Mb
فرمت: True Pdf

Ch. 1. Crystal structure and symmetry. 1.1. Introduction. 1.2. Lattice and symmetry considerations. 1.3. Reciprocal lattice and Brillouin zone. 1.4. Crystal structure and atomic positions. 1.5. Crystal symmetry. 1.6. Cyclic Boundary Condition. 1.7. Bloch's Theorem -- ch. 2. Basic ingredients for ab initio theory. 2.1. Basic approximations. 2.2. Density functional theory of many-electron systems. 2.3. Approximations for the exchange-correlation energy functional. 2.4. Schemes for solving the Kohn-Sham equations -- ch. 3. Plane wave pseudopotential theory. 3.1. Pseudopotential concept. 3.2. Plane-wave basis and pseudopotential matrix elements. 3.3. Pseudopotential Generation. 3.4. Non-linear core correction. 3.5. Total energy and forces -- ch. 4. Methods of achieving simultaneous relaxation of electronic and ionic degrees of freedom. 4.1. Introduction. 4.2. Kohn-Sham approach. 4.3. Car-Parrinello's molecular dynamics approach -- ch. 5. Quasi-particle theory for electronic band structure calculation. 5.1. Introduction. 5.2. Equation of motion for Green's function. 5.3. The QW approximation. 5.4. Considerations for the evaluation of [symbol]. 5.5. Reciprocal-space scheme for the evaluation of [symbol]. 5.6. Simple schemes for the evaluation of [symbol]. Ch. 6. Methods of calculating phonon frequencies. 6.1. Introduction. 6.2. Crystal Hamiltonian and normal modes of vibration. 6.3. Calculation of phonon modes using ab initio theory. 6.4. Calculation of phonon modes using an adiabatic bond charge -- ch. 7. Bulk semiconductors. 7.1. Introduction. 7.2. Static structural properties. 7.3. Crystal stability. 7.4. Pressure-induced phase transformation. 7.5. Calculations of phonon modes. 7.6. Elastic constants and the mode-Gruneisen constant. 7.7. Electronic band structure. 7.8. Charge asymmetry and ionicity -- ch. 8. Clean semiconductor surfaces. 8.1. Introduction. 8.2. Why do semiconductor surfaces relax/reconstruct? 8.3. Experimental studies of semiconductor surfaces. 8.4. Unit cells for ideal and reconstructed surfaces. 8.5. Modelling of surfaces for plane wave pseudopotential calculations. 8.6. Methods for surface phonon calculations. 8.7. Si(111) surfaces. 8.8. Si(001) surfaces. 8.9. III-V(110) surfaces. 8.10. III-V(001) surfaces. 8.11. III-V(111) surfaces -- ch. 9. Adsorbate covered semiconductor surfaces. 9.1. Introduction. 9.2. Adsorbate covered Si(111) surfaces. 9.3. Adsorbate covered Si(001) surfaces. 9.4. Adsorbate covered III-V(110) surfaces. 9.5. Sb covered GaAs(001). 9.6. Initial stages in surfactant-mediated epitaxial growth of Ge on Si(001) -- ch. 10. Alloys and low-dimensional systems. 10.1. Introduction. 10.2. Semiconductor alloys. 10.3. Superlattices. 10.4. Lower symmetry quantum systems -- ch. 11. Bulk and surface defects. 11.1. Introduction. 11.2. Bulk defects. 11.3. Atomic-sized defects on surfaces.

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