First principles calculations of structural and electronic properties of GaN1-xBix alloys
First principles calculations of structural and electronic properties of GaN1-xBix alloys
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DOI：
10.1016/j.jallcom.2012.03.088
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发表时间：
2012-07-01
影响因子：
6.2
通讯作者：
Rebey, A.
中科院分区：
文献类型：
--
作者：
Mbarki, M.;Rebey, A.
In this work we have calculated the structural and electronic properties of GaN1-xBix alloy by using the density functional theory based on the full potential linearized augmented plane wave method (FPLAPW). The calculated lattice parameter of GaN1-xBix alloys shows an increase by increasing the composition x of bismuth (Bi), while a significant deviation from Vegard's law is observed. We have studied the variation of the energy gap and the electron effective masses of the ternary compound with respect to the composition x of Bi. (C) 2012 Elsevier B.V. All rights reserved.
