We presented the surface projected band structure along the high line of surface brillouin zone,the electron properties,such as localization and dispersion of this surface states are discussed.
我们给出了四种半导体材料的表面投影能带结构和与它们相对应的各个表面态 ,讨论了各个表面态沿表面布里渊区高对称线Г Y S X Г的色散关系 .
Using the scattering\|theoretic method and employing the second nearest\|neighbor tight\|binding formalism to describe the bulk electronic structure,we calculated the surface electronic structure of InSb(211) A,B surfaces. The surface projected band structures are presented.
Using the scattering\|theoretic method and employing the second nearest\|neighbor tight\|binding formalism to describe the bulk electronic structure,we calculated the surface electronic structure of InSb(211) A,B surfaces.The surface projected band structures are presented.The results show that the (211) B surface is more stable than the (211) A surface.Our results are in agreement with the experiments.
The electronic structure of Ge(313) surface is studied by using the Green function method of the scattering theory.The bulk electronic structure is described by the nearest neighbor tight binding sp 3s * formalism proposed by Vogl et al. Wave vector resolved surface densities of states and band structure along the surface Brillouin zone are presented. The results show that there are six surface states in the range of -12 eV to 1 eV. In addition, some properties of these surface states, i.e.orbital...
使用紧束缚最近邻近似下的 sp3s* 模型 ,利用形式散射理论的格林函数方法 ,首次分析了半导体 Ge的(313)高指数表面的表面能带结构 .采用层轨道表象及表面投影技术 ,给出了 (313)表面在二维布里渊区高对称点的波矢分辩的电子态密度和表面投影能带结构 .分析结果表明 :(313)表面在 - 12 e V到 1e V的能区内存在 6个主要的表面态 .在此基础上讨论了各表面态的轨道特性、色散特性和局域特性等
The results of a theoretical study of the electronic structure of CuCl(110) surface are presented. The bulk electronic structure is described by the nearest neighbor tight binding formalism which proposed by Ferhat etc. Using the scattering theoretic method, we have obtained the surface projected band structure together with the wavevector resolved surface densities of states. The results show that the rehybridization between p-p and p-d electrons in the top two layers plays an important role in...
采用考虑 d电子相互作用的 spd紧束缚模型描述具有闪矿结构的半导体 Cu Cl的体能带 ,用形势散射理论方法计算了弛豫的 Cu Cl(110 )表面电子结构 ,给出了表面投影能带结构和表面波矢分辨的层态密度 .计算结果表明 :表面弛豫主要是表面层 p- p和 p- d的重新杂化而引起的