EMPIRICAL INTERATOMIC POTENTIAL FOR SI-H INTERACTIONS

被引:102
作者
MURTY, MVR [1 ]
ATWATER, HA [1 ]
机构
[1] CALTECH,THOMAS J WATSON LAB APPL PHYS,PASADENA,CA 91125
来源
PHYSICAL REVIEW B | 1995年 / 51卷 / 08期
关键词
D O I
10.1103/PhysRevB.51.4889
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
An empirical many-body interatomic potential has been developed to describe Si-H interactions. The potential was fitted to various gas-phase silicon hydride species and interstitial sites of atomic hydrogen in bulk silicon, and gives a reasonable description of hydrogen-terminated silicon surfaces. The potential is computationally efficient and may be used, with caution, for molecular-dynamics investigations of Si-H interactions on hydrogen-terminated silicon surfaces and hydrogenated amorphous silicon. © 1995 The American Physical Society.
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页码:4889 / 4893
页数:5
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