First-principles calculation for bowing parameter of wurtzite In xGa1 - XN

Bo Ting Liou, Cheng Yang Lin, Sheng Horng Yen, Yen Kuang Kuo

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32 Citations (Scopus)


Numerical simulation based on first-principles calculation is applied to study the structural characteristics and band-energy properties of wurtzite InxGa1 - xN. The lattice constants a and c apparently deviate from the Vegard's law. The deviation parameter is 0.047 ± 0.011 Å for the a lattice constant, and -0.117 ± 0.026 Å for the c lattice constant. A band gap energy bowing parameter of 1.782 ± 0.076 eV is obtained with the equilibrium lattice constants, and 1.916 ± 0.068 eV is obtained with the lattice constants derived from the Vegard's law.

Original languageEnglish
Pages (from-to)217-223
Number of pages7
JournalOptics Communications
Issue number1-3
Publication statusPublished - 2005 May 1

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry
  • Electrical and Electronic Engineering

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