表面晶格畸变和电子有效能量的改变对表面态的影响

本文同时考虑了表面电子有效能量的改变和表面晶格的畸变效应,用微扰格林函数方法计算了三维半无限晶体的表面电子态。结果表明:同时计入两种因素的影响后,在上禁带和下禁带可能产生新的表面态。给出了表面态存在条件、表面态能级和波函数的表达式。可以看出:在一般情形下,表面态的数目、存在条件和能级与表面电子有效能量的改变和表面晶格畸变对应的结合能改变都有关系。

Effect of the Deformation of the Surface lattice and the Change of the Surface Electron Effective Energy on the Surface States

The surface states of a three dimensional semi—infinite crystal are calcula ted by using the Green function method,taking account of the change of the surface electron effective energy and the deformation of the surface lattice.There exist new statesin super—(of lower—)forbidden band.The existence condition,the energy levels and the wave functions of the surface states are presented,In general case, the number,the existence condition and the energy levels of the surface states are related to the change of the surface electron effective energy and the deformation of the surface lattice.