Electronic Structure of MaterialsTaylor & Francis, 23.07.2013 - 469 Seiten Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture |
Inhalt
1 | |
Chapter 2 Quantum Description of Materials | 11 |
Chapter 3 Density Functional Theory | 41 |
Chapter 4 Energy Band Theory | 67 |
Chapter 5 Methods of Electronic Structure Calculations I | 95 |
Chapter 6 Methods of Electronic Structure Calculations II | 125 |
Chapter 7 Methods of Electronic Structure Calculations III | 151 |
Chapter 8 Disordered Alloys | 179 |
Chapter 16 Ferroelectric and Multiferroic Materials | 339 |
Chapter 17 HighTemperature Superconductors | 357 |
Chapter 18 Spintronic Materials | 369 |
Chapter 19 Battery Materials | 385 |
Chapter 20 Materials in Extreme Environments | 399 |
Electronic Structure Codes | 409 |
List of Projects | 411 |
Atomic Units | 413 |
Chapter 9 FirstPrinciples Molecular Dynamics | 209 |
Chapter 10 Materials Design Using Electronic Structure Tools | 233 |
Chapter 11 Amorphous Materials | 241 |
Chapter 12 Atomic Clusters and Nanowires | 255 |
Chapter 13 Surfaces Interfaces and Superlattices | 281 |
Chapter 14 Graphene and Nanotubes | 297 |
Chapter 15 Quantum Hall Effects and Topological Insulators | 317 |
Functional Functional Derivative and Functional Minimization | 415 |
Orthonormalization of Orbitals in the CarParrinello Method | 417 |
Sigma σ and Pi π Bonds | 421 |
sp sp2 and sp3 Hybrids | 423 |
425 | |
Back Cover | 443 |
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Häufige Begriffe und Wortgruppen
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