【摘要】 基于 Ga As( 1 1 4 ) A表面的几何结构 ,采用散射理论的格林函数方法 ,首次从理论上计算了 Ga As( 1 1 4 ) A表面的电子结构 ,得到了该表面的投影能带结构 ,并从键合结构上分析了各表面态的轨道特征和色散特性 .结果表明 ,在基本带隙中有 4个表面态 ,异极带隙中有 2个表面态 ,这些表面态分别与表面的离子悬挂键相对应更多还原

【Abstract】 By using the Green function method of the scattering theory, the calculation of the electronic structure of the GaAs(114)A surface is performed. The surface projected band structures and wave-vector-resolved surface densities of states are presented. The electronic properties, such as localization and dispersion of the surface states are discussed. The results show that there are four surface states exist in the fundamental gaps and it corresponds to the four dangling bond in the surface unit cells respectively.更多还原