硅中氢分子和空位型缺陷间的相互作用

Interaction between Hydrogen Molecule and Vacancy-Type Defects in c-Si

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.