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.
Produktkennzeichnungen
Herausgeber
Hisazumi AKAI, Kiyoyuki Terakura
ISBN-10
3642849709
ISBN-13
9783642849701
eBay Product ID (ePID)
165029400
Produkt Hauptmerkmale
Produktart
Lehrbuch
Sprache
Englisch
Anzahl der Seiten
240 Seiten
Verlag
Springer Berlin Heidelberg, Springer Berlin
Publikationsname
Interatomic Potential And Structural Stability
Autor
Kiyoyuki Terakura, Hisazumi Akai
Format
Taschenbuch
Erscheinungsjahr
2012
Zusätzliche Produkteigenschaften
Hörbuch
No
Inhaltsbeschreibung
Paperback
Item Length
23cm
Item Height
1cm
Item Width
15cm
Nummer Innerhalb der Serie
114
Item Weight
371g
Buchreihe
Springer Series in Solid-State Sciences
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