摘要
利用形式散射理论的格林函数方法，采用紧束缚最近邻近似下的ｓｐ３ｓ模型，计算了ＺｎＳｅ／ＧａＡｓ（１００）两类界面（Ｓｅ／Ｇａ和Ａｓ／Ｚｎ界面）的电子结构．分别给出了两类界面的界面带结构和波矢分辨的层态密度及其分波态密度．计算结构表明，在ＺｎＳｅ／ＧａＡｓ（１００）两类界面的禁带隙中均无界面态，而在其价带区均存在三条束缚的界面带和四条半共振带；通过比较，分析了两类界面的界面态特征及其来源．
AbstractWe present results of a theoretical calculation of the electronic structure of the two polar ZnSe/GaAs(100) interfaces. The bulk electronic structure is described by the nearest neighbor tight binding formalism. Using the scattering theoretical method, we have obtained wave vector resolved interface layer densities of states and the interface band structure. For both Se/Ga and As/Zn interfaces, there exist no interface states in the fundamental gap, but there are three interface bands and four semi resonance bands in the valence band region. Finally, we study the nature and origins of these bands by analysing orbital resolved layer densities of states.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1998年第10期1704-1712,共9页
Acta Physica Sinica
基金
河南省自然科学基金
