Electronic structure : basic theory and practical methods /
Richard M. Martin.
Bok Engelsk 2020
| Omfang | pages cm
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|---|---|
| Utgave | [Second edition].
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| Opplysninger | Theoretical background -- Periodic solids and electron bands -- Uniform electron gas and sp-bonded metals -- Density functional theory : foundations -- The Kohn-Sham auxiliary system -- Functionals for exchange and correlation I -- Functionals for exchange and correlation II -- Electronic structure of atoms -- Pseudopotentials -- Plane waves and grids : basics -- Plane waves and real space methods : full calculations -- Localized orbitals : tight-binding -- Localized orbitals : full calculations -- Augmented functions : APW, KKR, MTO -- Augmented functions : linear methods -- Locality and linear scaling O(N) methods -- Quantum molecular dynamics (QMD) -- Response functions : phonons, magnons, ... -- Excitation spectra and optical properties -- Surfaces, interfaces, and lower dimensional systems -- Wannier functions -- Polarization, localization, and Berry phases -- Topology of the electronic structure of a crystal : introduction -- Two band models : Berry phase, winding and topology -- Topological insulators I : two dimensions -- Topological insulators II : three dimensions.. - "The study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader"--
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| Emner | |
| Dewey | |
| ISBN | 9781108429900
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| ISBN(galt) |
