【摘要】 用总能量最小方法，确定了ＺｎＳ（１１０）表面的原子几何结构，得到与弹性低能电子衍射实验相符的结果．利用格林函数的散射理论方法，计算了ＺｎＳ（１１０）表面的电子结构．在此基础上，讨论了晶格弛豫对表面电子特性的影响．更多还原

【Abstract】 The total energy minimization method is applied to predict the minimimum energy atomic geometries of the ZnS(110) surface.The predicted geometries is shown to be in good correspondence with the determined by elastic low energy electron diffraction intensity analyses.The electronic structure of ZnS(110) surface is studied by the green′s function scattering theoretic approach.The influence of lattice retxation to surface electronic properties are discussed.更多还原