【摘要】 本文报道用自洽EHT方法研究Si/GaAs异质结界面态分布和价带不连续性。用准共度晶格模型处理晶格失配问题,并对晶格常数作了修正。通过对Si/GaAs(111)、Si/GaAs(111)和Si/GaAs(110)异质结中Si应变和GaAs应变的情况,分别进行计算,得到界面态分布和价带不连续值等物理量,结果表明:它们不仅依赖于组成异质结的两种材料的体性质,而且还依赖于界面晶向和材料应变。文中给出了这些计算结果,并作了初步的讨论。更多还原

【Abstract】 The interface states and valence band offsets of Si/GaAs heterojunction have been studiedby the self-consistent EHT method.The lattice mismatch between Si and GaAs is treated bya pseudomorphic lattice model; meanwhile the lattice constants are corrected. The Si/GaAs(111), Si/GaAs(111)and Si/GaAs(110)interfaces are calculated for Si strained and GaAsstrained condition, respectively.It is shown that the interface states and valence band discontinuitiesare dependent not only on the two materials,but also on the strain and orientationsof heterojunction.The results are given and discussed.更多还原