STRUCTURAL-PROPERTIES OF AMORPHOUS SIC VIA ABINITIO MOLECULAR-DYNAMICS

被引：7

作者：

FINOCCHI, F ^{[1
]}

GALLI, G ^{[1
]}

PARRINELLO, M ^{[1
]}

BERTONI, CM ^{[1
]}

机构：

[1] IBM CORP,DIV RES,ZURICH RES LAB,CH-8803 RUSCHLIKON,SWITZERLAND

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1991年 / 137卷

关键词：

D O I：

10.1016/S0022-3093(05)80079-1

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We have investigated a-SiC at stoichiometric composition at room temperature using a first principles molecular dynamics technique. This method has proven to be very successful in predicting a variety of properties of disordered systems, amongst them a-C and a-Si. From our results, we analyzed the short range order of the system, in particular whether it is chemically ordered or has a random distribution of Si-C bonds and the different kind of bonding configurations attained by the two species.

引用

页码：153 / 156

页数：4

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