ZnS（111）表面电子结构研究

A STUDY OF THE ELECTRONIC STRUCTURE OF ZnS(111)

利用ＭｕｆｉｎＴｉｎ轨道线性组合（ＬＭＴＯ）法，采用ｓｌａｂ模型计算了半导体ＺｎＳ（１１１）表面的电子结构，给出了总体、局域及分波态密度，分析了两种ｓｌａｂ模型的表面稳定性和表面态．

By using the linear muffin tin orbital (LMTO)method,the surface electronic structure of ZnS(111) slab model is calculated,the total,local and partial densities of states for these models are presented.The structure stability and surface state are discussed.Theoretical density of states is in good agreement with the experimental result obtained from the synchrotron radiation photoemission spectra of the ZnS(111) surface.