摘要
采用基于原子球近似下线性Mufin-Tin轨道(LMTO-ASA)的平均键能计算方法,研究了以ZnSxSe1-x为衬底,沿(001)方向外延生长的应变层异质结ZnS/ZnSe、ZnS/ZnSxSe1-x和ZnSe/ZnSxSe1-x的价带带阶值ΔEv(x).研究表明,ΔEv(x)值随衬底合金组分x单调变化.且两者的关系是非线性的.在此计算结果与其它理论计算和实验结果符合较好.
The valence band offset Δ E v( x ) at strained ZnS/ZnSe, ZnS/ZnS x Se 1- x and ZnSe/ZnS x Se 1- x (001) interfaces as a function of the alloy composition x of ZnS x Se 1- x substrates are studied, usting the average bond energy theory based on LMTO ASA method. It is shown that the variation of Δ E v (x) with x is monotonous and nonlinear to some extent. The calculation results are rather good compared with the theoretical and experimental data previously reported.
出处
《发光学报》
CSCD
北大核心
1998年第4期293-299,共7页
Chinese Journal of Luminescence
基金
国家和福建省自然科学基金
国家教委博士点专项基金
关键词
硫化锌
硒化锌
异质结
价带带阶
平均键能
heterojunction ZnS/ZnSe
ZnS/ZnS
x Se
1- x
and ZnSe/ZnS
x Se
1- x
valence band offsets
average bond energy