|Publisher:||Cambridge University Press|
|Sold by:||Barnes & Noble|
|File size:||21 MB|
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About the Author
Table of ContentsPreface; Acknowledgments; Notation; Part I. Overview and background topics: 1. Introduction; 2. Overview; 3. Theoretical background; 4. Periodic solids and electron bands; 5. Uniform electron gas and sp-bonded metals; Part II. Density functional theory: 6. Density functional theory: foundations; 7. The Kohn–Sham auxiliary system; 8. Functionals for exchange and correlation I; 9. Functionals for exchange and correlation II; Part III. Important preliminaries on atoms: 10. Electronic structure of atoms; 11. Pseudopotentials; Part IV. Determination of electronic structure: the basic methods: 12. Plane waves and grids: basics; 13. Plane waves and real space methods: full calculations; 14. Localized orbitals: tight-binding; 15. Localized orbitals: full calculations; 16. Augmented functions: APW, KKR, MTO; 17. Augmented functions: linear methods; 18. Locality and linear scaling O(N) methods; Part V. From Electronic Structure to Properties of Matter: 19. Quantum molecular dynamics (QMD); 20. Response functions: phonons, magnons, . . .; 21. Excitation spectra and optical properties; 22. Surfaces, interfaces, and lower dimensional systems; 23. Wannier functions; 24. Polarization, localization, and Berry phases; Part VI. Electronic Structure and Topology: 25. Topology of the electronic structure of a crystal: introduction; 26. Two band models: Berry phase, winding and topology; 27. Topological insulators I: Two dimensions; 28. Topological insulators II: Three dimensions; Part VII. APPENDICES: A. Functional equations; B. LSDA and GGA functionals; C. Adiabatic approximation; D. Perturbation Theory, response functions and Green's functions; E. Dielectric functions and optical properties; F. Coulomb interactions in extended systems; G. Stress from electronic structure; H. Energy and stress densities; I. Alternative force expressions; J. Scattering and phase shifts; K. Useful relations and formulas; L. Numerical methods; M. Iterative methods in electronic structure; N. Two-center matrix elements: expressions for arbitrary angular momentum l; O. Dirac equation and spin-orbit interaction; P. Berry phase, curvature and Chern numbers; Q. Quantum Hall effect and edge conductivity; R. Codes for electronic structure calculations for solids; References; Index.
What People are Saying About This
'The book places electronic structure in the context of elementary issues in physics, while at the same time emphasising its role in providing useful information on the properties of materials … unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and actual applications … aim is to serve graduate students and scientists involved in research while acting as supplementary material for courses on condensed matter physics and material science … Examples of problems are included in each chapter to bring out salient points and challenge the reader.' Materials World