BONDING OF HYDROGEN TO WEAK SI-SI BONDS

被引：12

作者：

TARNOW, E

STREET, RA

机构：

[1] Xerox Palo Alto Research Center, Palo Alto

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.45.3366

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Results of an ab initio investigation of the bonding of hydrogen to strained silicon-silicon bonds are reported. In particular, the effect of a bond-angle distortion is studied by introducing a lateral displacement of atomic planes in a supercell configuration. Compared to the normal bond-centered site, the hydrogen binding energy increases with strain by up to 1.5 eV and the hydrogen favors an asymmetrical site. The results are related to the bonding of hydrogen in amorphous silicon.

引用

页码：3366 / 3371

页数：6

共 14 条

[1]

BISWAS R, 1991, MATER RES SOC SYMP P, V219, P99, DOI 10.1557/PROC-219-99

[2] MOLECULAR RADICAL MODELS FOR THE MUONIUM CENTERS IN SOLIDS [J].