Comparison of bonding in amorphous silicon and carbon

被引:22
作者
Clark, SJ
Crain, J
Ackland, GJ
机构
[1] Department of Physics, The University of Edinburgh, Mayfield Road, Edinburgh
来源
PHYSICAL REVIEW B | 1997年 / 55卷 / 21期
关键词
D O I
10.1103/PhysRevB.55.14059
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present detailed calculations using the total energy pseudopotential method of relaxed amorphous structures at various densities formed metastably in silicon and carbon. These calculations show a number of interesting features: fivefold coordination of atoms in silicon but not in carbon, bond lengths in carbon increased at reduced volume, with the opposite trend in silicon, and three-center orbitals in carbon. Also, the energy is nearly independent of volume in carbon, suggesting that properties of amorphous carbon will depend strongly on the growth process.
引用
收藏
页码:14059 / 14062
页数:4
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