摘要
采用LMTO-ASA能带计算方法,研究三元合金InlGa4-lAs4和InlAl4-lAs4(l=0,1,2,3,4等五个有序态)的能带结构和平均键能Em;在此基础上,将原子集团展开与平均键能方法结合起来计算了InxGa1-xAs/InxAl1-xAs异质结的价带偏移ΔEv(x)值.研究表明:该异质结的ΔEv(x)值随合金组分x的变化接近于线性;ΔEv(x)的理论计算值与实验结果相当符合.
LMTO band method is introduced into calculating the band structures and the average bond energies E m of the five ordered structures in In l Ga 4- l As 4 and In l Al 4- l As 4( l =0,1,2,3,4); the valence band offsets ΔE v(x) as a function of the alloy composition x of the heterojunction In x Ga 1- x As/In x Al 1- x As is studied, by using the average bond energy theory in conjunction with a cluster expansion method. It is shown that the variation of ΔE v(x) is near linear and the calculation results are in very good agreement with relevant experimental data.
出处
《厦门大学学报(自然科学版)》
CAS
CSCD
北大核心
1997年第1期47-51,共5页
Journal of Xiamen University:Natural Science
基金
国家和福建省自然科学基金
厦门光电子公司工业部资助
关键词
异质结
价带偏移
半导体
铟镓砷化合物
Heterojunction, Valence band offset, Average bond energy theory