Vegard's law deviation in band gaps and bowing parameters of the wurtzite III-nitride ternary alloys

Bo Ting Liou, Sheng Horng Yen, Yen Kuang Kuo

研究成果: Conference article同行評審

18 引文 斯高帕斯(Scopus)

摘要

The wurtzite AlxGa1-xN, InxGa 1-xN, and AlxIn1-xN alloys are studied by numerical simulation based on first-principles calculations. For Al xGa1-xN the Vegard's law deviation parameter is 0.018 ±0.001 A for the a lattice constant and -0.036 ± 0.005 Å for the c lattice constant. For InxGa1-xN that is 0.047 ± 0.011 Å for the a lattice constant and -0.117 ± 0.026 Å for the c lattice constant. For AlxIn1-xN that is 0.063 ± 0.014 Å for the a lattice constant and -0.160 ± 0.015 Å 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 In xGa1-xN, and 3.668 ± 0.147 eV and 3.457 ± 0.152 eV respectively for AlxIn1-xN.

原文English
文章編號54
頁(從 - 到)296-305
頁數10
期刊Proceedings of SPIE - The International Society for Optical Engineering
5628
DOIs
出版狀態Published - 2005 六月 1
事件Semiconductor Lasers and Applications II - Beijing, China
持續時間: 2004 十一月 82004 十一月 9

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering

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