摘要
利用MNDO方法和模型硅晶体计算了硅中氢分子和空位型缺陷问的相互作用能.得到了晶体硅中氢分子和空位型缺陷倾向于相互结合,含氢空位型缺陷可成为硅中氢和空位聚集的核心的结论.
The energy of interaction between hydrogen molecule and vacancy-type defects in crystal-line silicon is calculated using MNDO method and a series of model silicon crystals.It is con-cluded that the hydrogen molecule and the vacancy-type defects in silicon tend to trap eachother and that the hydrogenated vacancy-type defects serve as the nuclei of precipitation for bothhydrogen and vacancy in silicon.
基金
国家自然科学基金
关键词
硅
氢
缺陷
Silicon
Hydrogen
Defect
