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题名: Vegard's Law Deviation in Band Gaps and Bowing Parameters of the Wurtzite III-nitride Ternary Alloys
作者: Liou, Bo-Ting;Yen, Sheng-Horng;Kuo, Yen-Kuang
贡献者: 物理學系
关键词: III-nitride semiconductor;Vegard’s law;Lattice constant;Band gap bowing parameter
日期: 2005-01
上传时间: 2012-07-19T01:50:04Z
出版者: SPIE--The International Society for Optical Engineering
摘要: The wurtzite AlxGa1-xN, InxGa1-xN, and AlxIn1-xN alloys are studied by numerical simulation based on first-principles calculations. For AlxGa1-xN the Vegard's law deviation parameter is 0.018 � 0.001 � for the a lattice constant and -0.036 � 0.005 � for the c lattice constant. For InxGa1-xN that is 0.047 � 0.011 � for the a lattice constant and -0.117 � 0.026 for the c lattice constant. For AlxIn1-xN that is 0.063 � 0.014 � for the a lattice constant and -0.160 � 0.015 � for the c lattice constant The results indicate that the band gap bowing parameters obtained with the equilibrium lattice constant and with the lattice constants derived from the Vegard's law are 0.341 � 0.035 eV and 0.351 � 0.043 eV respectively for AlxGa1-xN, 1.782 � 0.076 eV and 1.916 � 0.068 eV respectively for InxGa1-xN, and 3.668 � 0.147 eV and 3.457 � 0.152 eV respectively for AlxIn1-xN.
關聯: Proceedings of SPIE, 5628: 296-305 (Semiconductor Lasers and Applications II)
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