包含键环境修正的硅氢紧束缚势模型

潘必才

doi:10.3321/j.issn:1000-3290.2001.02.015

物理学报

包含键环境修正的硅氢紧束缚势模型

潘必才. 2001: 包含键环境修正的硅氢紧束缚势模型, 物理学报, 50(2): 268-272. doi: 10.3321/j.issn:1000-3290.2001.02.015

引用本文:

潘必才. 2001: 包含键环境修正的硅氢紧束缚势模型, 物理学报, 50(2): 268-272. doi: 10.3321/j.issn:1000-3290.2001.02.015

PAN Bi-Cai. 2001: TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN, Acta Physica Sinica, 50(2): 268-272. doi: 10.3321/j.issn:1000-3290.2001.02.015

Citation:

PAN Bi-Cai. 2001: TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN, Acta Physica Sinica, 50(2): 268-272. doi: 10.3321/j.issn:1000-3290.2001.02.015

包含键环境修正的硅氢紧束缚势模型

潘必才

中国科学技术大学物理系,

通讯作者: 潘必才

TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN

PAN Bi-Cai

Corresponding author: PAN Bi-Cai

摘要: 在已有的硅势模型基础上，引进氢原子，计及Si-H键环境的影响，构造出新的硅氢紧束缚势模型.通过测试计算，这一新的硅氢势模型显示出较好的传递性，可适宜于研究复杂的硅氢体系.
- 紧束缚势模型 /
- 半导体,缺陷
Abstract: We have developed a new Si-H tight-binding potential through introducing hydrogen atom into the previous silicon tight-binding potential model,in which the correction of environment around a Si-H bond is considered for the interaction between silicon and hydrogen.The testing results show good transferability,hence this new model can be used to do research on complicated silicon-hydrogen systems.