物理学报
物理學報
물이학보
2001年
2期
268-272
,共5页
紧束缚势模型%半导体,缺陷
緊束縳勢模型%半導體,缺陷
긴속박세모형%반도체,결함
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.
在已有的硅勢模型基礎上，引進氫原子，計及Si-H鍵環境的影響，構造齣新的硅氫緊束縳勢模型.通過測試計算，這一新的硅氫勢模型顯示齣較好的傳遞性，可適宜于研究複雜的硅氫體繫.
재이유적규세모형기출상，인진경원자，계급Si-H건배경적영향，구조출신적규경긴속박세모형.통과측시계산，저일신적규경세모형현시출교호적전체성，가괄의우연구복잡적규경체계.
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.
