【摘要】 本文用LCAO-Recursion方法研究了应变层超晶格（ZnSe）_2n/(ZnS_xSe_1-x)_2n（n=1）的电子结构。计算了两种应变组态（赝晶生长,Free-Standing生长）下超晶格总的态密度,各原子的局域和分波态密度。我们发现:带隙E_g、费米能级E_f和原子价随应变的变化而变化;（ZnSe）_2n/(ZnS_xSe_1-x)_2n超晶格中离子键和共价键共存;电子在界面附近发生了转移。更多还原

【Abstract】 The structure and properties of （ZnSe）_2n/(ZnS_xSe_1-x)₂n（n=1） strained-layer superlatticeare investigated by the recursion method in the tight-binding approximation （TBA）. The total.local and partial density of states are calculated for two strained configurations:pseudomorphicgrowth and free-standing growth. It is found that the energy gap Eg, Fermi level E_?and atomic valence can he changed for different strain. The characters of ionic and covalentbonding are coexistance in （ZnSe）_2n/(ZnS_xSe_1-x)_2nSLS.The electrons trarsfer interface fromone side to another.更多还原