Computational studies of new materials
Author(s)
Bibliographic Information
Computational studies of new materials
World Scientific, c1999
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Note
Includes bibliographical references and index
Description and Table of Contents
Description
This important book is a collection of articles discussing computational studies of new materials. It is intended not only for workers in computational materials science, but also for people with a broader interest in the materials being discussed. The emphasis, therefore, is on the materials, and not primarily on the development of new computational tools. The specific topics covered are: surface-induced optical effects; adsorbates; crystals; semiconductors; clusters; fullerenes; fractals; and liquid helium.
Table of Contents
- Ab initio studies of compound semiconductor surfaces, T.T. Rantala
- tight-binding molecular dynamics study of structures and dynamics of carbon fullerenes, C.Z. Wang et al
- ionic charge transport in molecular materials - polymer electrolytes, M.A. Ratner
- atomic valences in aperiodic crystals studies by the bond valence method, S. van Smaalen
- phase conjugation through four-wave mixing, H.F. Arnoldus and T.F. George
- nanoscale materials - conceptual and computational challenges, M.V. Ramakrishna. (Part contents)
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