Lecture Notes in Physics

Computational Materials Science

From Basic Principles to Material Properties

Editors: Hergert, Wofram, Ernst, Arthur, Däne, Markus (Eds.)

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About this book

Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.

Table of contents (14 chapters)

Table of contents (14 chapters)
  • 1. Introduction

    Editors, The

    Pages 1-3

  • 2. The Essentials of Density Functional Theory and the Full-Potential Local-Orbital Approach

    Eschrig, H.

    Pages 7-21

  • 3. Methods for Band Structure Calculations in Solids

    Ernst, A. (et al.)

    Pages 23-54

  • 4. A Solid-State Theoretical Approach to the Optical Properties of Photonic Crystals

    Busch, K. (et al.)

    Pages 55-74

  • 5. Simulation of Active and Nonlinear Photonic Nano-Materials in the Finite-Difference Time-Domain (FDTD) Framework

    Klaedtke, A. (et al.)

    Pages 75-101

Buy this book

eBook $109.00
price for USA in USD (gross)
  • The eBook version of this title will be available soon
  • ISBN 978-3-540-39915-5
  • Digitally watermarked, DRM-free
  • Included format:
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $139.99
price for USA in USD
  • ISBN 978-3-540-21051-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $139.99
price for USA in USD
  • ISBN 978-3-642-05917-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Materials Science
Book Subtitle
From Basic Principles to Material Properties
Editors
  • Wofram Hergert
  • Arthur Ernst
  • Markus Däne
Series Title
Lecture Notes in Physics
Series Volume
642
Copyright
2004
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-540-39915-5
DOI
10.1007/b11279
Hardcover ISBN
978-3-540-21051-1
Softcover ISBN
978-3-642-05917-9
Series ISSN
0075-8450
Edition Number
1
Number of Pages
XVI, 320
Number of Illustrations
78 illustrations in colour
Topics