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Book synopsis

Structural stability is of fundamental importance in§materials science. Up-to-date information on the theoretical§aspects of phase stability of materials is contained in this§volume. Most of the first-principles calculations are based§on the local-density approximation (LDA). In contrast, this§volume contains very recent results of "going beyond LDA",§such as the density gradient expansion and the quantum§Monte-Carlomethod.Following the recently introduced theoretical methods for§the calculation of interatomic potentials, forces acting on§atoms and total energies such as the Car-Parrinello, the§effective-medium and the bond-ordermethod, attempts have§been made to develop even more sophisticated methods such as§the order-N method in electronic-structure calculations. The§present status of these methods and their application to§real systems are described.§In addition, in order to study the phase stability atfinite§temperatures, the microscopic calculations have to be§combined with statistical treatment of the systems to§describe, e.g. order-disorder transitions on the Si(001)§surface or alloy phase diagrams. This book contains examples§for this type of calculations.

Book details

Book category Books in English Mathematics & science Physics Materials / States of matter

• Full title: Interatomic Potential and Structural Stability
• Subtitle: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992
• Author: Hisazumi Akai, Kiyoyuki Terakura
• Language: English
• Binding: Paperback
• Number of pages: 223
• EAN: 9783642849701
• ISBN: 9783642849701
• ID: 06622466
• Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
• Weight: 371 g
• Dimensions: 235 × 155 × 14 mm
• Date of publishing: 09. February 2012

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