Tuning the structural, electronic, and optical properties of BexZn1-xTe alloys

被引:38
作者
de Almeida, J. S. [1 ]
Ahuja, R. [1 ]
机构
[1] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
关键词
D O I
10.1063/1.2219341
中图分类号
O59 [应用物理学];
学科分类号
摘要
A series of first principles calculations have been carried out to investigate structural, electronic, and optical properties of BexZn1-xTe alloys for five beryllium compositions. Our results show that the lattice constant scales linearly with beryllium composition and there is a direct-to-indirect band gap crossover nearly at the composition of 20%. It is also found that no bowing effect in the absorption edge is observed unlike other II-VI semiconductor alloys. Our results are in good qualitative agreements with experimental observations. (c) 2006 American Institute of Physics.
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页数:3
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