YBa_2Cu_3O_7基面电子态特性计算

The Electronic Properties of Bulk Terminal YBa_2Cu_3O_7(001) Surface

用散射理论描述了 YBa2 Cu3O7( 0 0 1)面的电子能带结构。用近似到第三近邻的紧束缚模型得到了 YBCO的体电子态密度 ,Cu O及 Cu O2 的表面态密度和表面投影能带 ,进而分析了 Cu O和 Cu O2 的表面态密度的特点及与体态密度的差别。

This paper presents a theoretical investigation on the electronic structure of YBa 2Cu 3O 7 surface. The bulk electronic structure of YBa 2Cu 3O 7 was described by the third-neighbor tight-binding formalism and an analytic scattering theoretical method was used to evaluate the surface electronic structure. The bulk and surface density of states and the surface projected band structure of CuO and CuO 2 terminated surface are calculated. The surface density of states of CuO and CuO 2 are compared with the density of states of bulk.