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Conceptual Foundations of Materials - 1st Edition - ISBN: 9780444509765, 9780080464572

Conceptual Foundations of Materials, Volume 2

1st Edition

A Standard Model for Ground- and Excited-State Properties

Series Volume Editors: Steven Louie Marvin Cohen
Hardcover ISBN: 9780444509765
eBook ISBN: 9780080464572
Imprint: Elsevier Science
Published Date: 20th September 2006
Page Count: 244
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Table of Contents

  1. Overview - A Standard Model of Solids

  2. 1 Background

  3. 2 The Hamiltonian

  4. 3 Emperical models

  5. 4 Ab initio calculations

  6. 5 Other sections

  7. Predicting Materials and Properties - Theory of the Ground and Excited States

  8. 1 Introduction

  9. 2 The ground state and density functional formulism

  10. 3 Ab initio pseudopotentials

  11. 4 Electronic, structural, vibrational and other ground-state properties

  12. 5 Electron-phonon interaction and superconductivity

  13. 6 Excited states, spectroscopic properties, and Green's functions

  14. 7 Single-particle Green's function and electron self energy

  15. 8 The GW approximation

  16. 9 Quasiparticle excitations in materials

  17. 10 Electron-hole excitations and the Bethe-Salpeter equation

  18. 11 Optical properties of solids, surfaces, and nanostructures

  19. 12 Spectroscopic properties of nanotubes - a novel 1D system

  20. 13 Summary and perspectives

  21. Ab Initio Molecular Dynamics - Dynamics and Thermodynamic Properties

  22. 1 Molecular Dynamics

  23. 2 Potential energy surface and electronic structure

  24. 3 Ab-initio Molecular Dynamics: the Car-Parrinello approach

  25. 4 Numerical implementation

  26. 5 An illustrative application: liquid water

  27. 6 Phase diagrams from first-principles

  28. 7 Rare events

  29. 8 Omissions, perspectives and open issues

  30. Structure and Electronic Properties of Complex Materials: Clusters, Liquids and Nanocrystals

  31. 1 Introduction

  32. 2 The electronic structure problem

  33. 3 Solving the Kohn-Sham problem

  34. 4 Simulating liquid silicon

  35. 5 Properties of confined systems: clusters

  36. 6 Quantum confinement in nanocrystals and dots

  37. Quantum Electrostatics of Insulators - Polarization, Wannier Functions, and Electric Fields

  38. 1 Introduction

  39. 2 The polarization

  40. 3 Outline of density-functional perturbation theory

  41. 4 The Berry-phase theory of polarization

  42. 5 Reformulation in terms of Wannier functions

  43. 6 The quantum of polarization and the surface charge theorem

  44. 7 Treatment of finite electric fields

  45. 8 Conclusions

  46. Electron Transport

  47. 1 Introduction

  48. 2 Conductivity

  49. 3 Conductance versus conductivity ; the point contact

  50. 4 Kubo and other formulas

  51. 5 Supercurrent and Andreev reflection

  52. 6 Bloch-Boltzmann theory

  53. 7 Kondo effect and resistivity minimum in metals

  54. 8 Dirty Fermi liquids and intrinsically diffusive states

  55. 9 Weak localization and quantum corrections

  56. 10 Neutron, photoemission, and infrared spectroscopies

  57. 11 Semiconductors and the metal/insulator transition

  58. 12 Coulomb blockade

  59. 13 Coulomb gap


The goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena.

Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties.

Key Features

  • Provides the foundations of the field of condensed matter physics
  • An excellent supplementary text for classes on condensed matter physics/solid state physics
  • Volume covers current work at the forefront
  • Presentations are accessible to nonspecialists, with focus on underlying fundamentals


Researchers and technologists in condensed matter and nanoscience; Faculty, postdoctoral researchers, graduate students, and industrial scientists working in condensed matter science and materials science; Research directors, science policy administrators


No. of pages:
© Elsevier Science 2006
20th September 2006
Elsevier Science
Hardcover ISBN:
eBook ISBN:

Ratings and Reviews

About the Series Volume Editors

Steven Louie

Steven Louie is Professor of Physics at UC Berkeley. His research spans a broad range of topics in condensed matter theory and nanoscience. He is a member of the National Academy of Sciences and recipient of the APS Aneesur Rahman Prize for Computational Physics, the APS Davisson-Germer Prize in Surface Physics, and the Foresight Institute Richard P. Feynman Prize in Nanotechnology.

Affiliations and Expertise

Department of Physics, University of California at Berkeley and the Lawrence Berkeley National Laboratory

Marvin Cohen

Marvin Cohen is University Professor at UC Berkeley. His research covers a broad spectrum of subjects in theoretical condensed matter physics. He is a member of the National Academy of Sciences and recipient of the National Medal of Science, the APS Oliver E. Buckley Prize for Solid State Physics, the APS Julius Edgar Lilienfeld Prize, and the Foresight Institute Richard P. Feynman Prize in Nanotechnology. He was 2005 President of the American Physical Society.

Affiliations and Expertise

Department of Physics, University of California at Berkeley and the Lawrence Berkeley National Laboratory