ENGLISH

Computational Studies of New Materials

By Daniel A. Jelski (editor) , Thomas F. George (editor)

Book information

Publisher
World Scientific
Year
1999
ISBN
9810233256, 9789810233259
Language
english
Format
PDF
Filesize
22 MB (23552817 bytes)
Pages
464\464
Time added
2021-04-04 12:27:08

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. Contents Preface Introduction • Daniel A. Jelski and Thomas F. George Ab Initio Studies of Compound Semiconductor Surfaces • Tapio T. Rantala Molecular-Dynamics Studies of Defects and Impurities in Bulk Semiconductors • Stefan K. Estreicher and Peter A. Fedders Tight-Binding Molecular Dynamics Study of Structures and Dynamics of Carbon Fullerenes • C. Z. Wang, B. L. Zhang and K. M. Ho Computations of Higher Fullerenes • Zdenek Slanina, Xiang Zhao and Eiji Ōsawa Relaxations of Charge Transfer and Photoexcitation in Cgo and Polymers • Xin Sun, Guoping Zhang, Thomas F. George and R. T. Fu Ionic Charge Transport in Molecular Materials: Polymer Electrolytes • Mark A. Ratner Computational Approaches in Optics of Fractal Clusters • Vadim A. Markel and Vladimir M. Shalaev Local Fields’ Localization and Chaos and Nonlinear-Optical Enhancement in Composites • Mark I. Stockman Atomic Valences in Aperiodic Crystals Studies by the Bond Valence Method • Sander van Smaalen Surface Light-Induced Drift • Michael A. Vaksman Theoretical Treatment of Surface Adsorbates • László Nánai, Csaba Beleznai and Thomas F. George Phase Conjugation Through Four-Wave Mixing • Henk F Arnoldus and Thomas F. George Electromagnetic Propagators in Micro- and Mesoscopic Optics • Ole Keller Nanoscale Materials: Conceptual and Computational Challenges • Mushti V. Ramakrishna Index

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