【摘要】 本文利用形式散射理论的格林函数方法 ,采用考虑最紧邻的sp3s 模型描述体带 ,计算了BN(110 )面的电子结构 .分别给出了理想表面和驰豫表面的投影带结构和波矢分辨的层态密度 ,并进行了较详细的讨论 .结果表明 :BN(110 )面的电子结构与大多数Ⅲ Ⅴ族和Ⅱ Ⅵ族半导体的 (110 )面的电子结构定性上是类似的 .但在各表面态的能级位置、色散特性和轨道特性等方面均有较大的差别 .这与它的反常弛豫有一定的关系更多还原

【Abstract】 The surface electron structure of BN(110) surface has been calculated using scattering theoretic method.The bulk electronic structure is described by the sps 3 * model with two second neighbor parameters.We have obtained surface projected band structure and wave vector resolved surface layer densities of states.The results show that the surface band structure of BN is qualitatively similar to those of the most Ⅲ Ⅴ and Ⅱ Ⅵ compound,although there are relatively large differences in some respects.This has something to do with its anomalous surface relaxation.更多还原