Electronic Structure of Materials

Cover
Taylor & 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

Chapter 1 Introduction
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
References
425
Back Cover
443
Urheberrecht

Andere Ausgaben - Alle anzeigen

Häufige Begriffe und Wortgruppen

Autoren-Profil (2013)

Rajendra Prasad is a professor of physics at the Indian Institute of Technology (IIT) Kanpur. He received a PhD in physics from the University of Roorkee (now renamed as IIT Roorkee) and completed postdoctoral work at Northeastern University. Dr. Prasad is a fellow of the National Academy of Sciences, India. Spanning over four decades, his research work focuses on the electronic structure of metals, disordered alloys, atomic clusters, transition metal oxides, ferroelectrics, multiferroics, and topological insulators.

Bibliografische Informationen