CHEMICAL ORDER IN AMORPHOUS COVALENT ALLOYS - A THEORETICAL-STUDY OF A-SIC

被引：8

作者：

FINOCCHI, F

GALLI, G

PARRINELLO, M

BERTONI, CM

机构：

[1] IRRMA, INST ROMAND RECH NUMER PHYS MAT, LAUSANNE, SWITZERLAND

[2] UNIV ROMA TOR VERGATA, DIPARTIMENTO FIS, ROME, ITALY

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

来源：

PHYSICA B-CONDENSED MATTER | 1993年 / 185卷 / 1-4期

关键词：

D O I：

10.1016/0921-4526(93)90264-7

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The microscopic structure and electronic properties of amorphous silicon carbide at stoichiometric composition have been investigated with ab-initio molecular dynamics simulations. Our results show that a-SiC can be classified neither as chemically ordered nor as completely random and has a structure much more complex than commonly believed. Our data also indicate that a detailed analysis of each atomic species is crucial to the understanding of the material properties.

引用

收藏

页码：379 / 383

页数：5

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