DIRECTIONAL BONDING IN ATOMISTIC SIMULATIONS

被引：10

作者：

AOKI, M

PETTIFOR, DG

机构：

[1] Department of Materials, University of Oxford, Oxford, OX1 3PH, Parks Road

来源：

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING | 1994年 / 176卷 / 1-2期

关键词：

D O I：

10.1016/0921-5093(94)90954-7

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Interatomic potentials have been developed during the past few years which include the directional character of the covalent bond explicitly by retaining terms up to the fourth moment within tight binding theory. These recent developments are reviewed and future directions indicated with particular reference to semiconductors and transition metals.

引用

页码：19 / 24

页数：6

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