Vegard's law deviation in band gap and bowing parameter of Al xIn1-xN

B. T. Liou, S. H. Yen, Yen-Kuang Kuo

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Numerical simulation based on first-principle calculations is applied to study the wurtzite AlxIn1-xN. Simulation results suggest that the Vegard's law deviation parameter is 0.063 ± 0.014 Å for the a lattice constant, and -0.160 ± 0.015 Å for the c lattice constant. The band gap bowing parameter is 3.668 ± 0.147 eV with the lattice constants by means of the minimized equilibrium energy, and 3.457 ± 0.152 eV with the lattice constants derived from Vegard's law.

Original languageEnglish
Pages (from-to)651-655
Number of pages5
JournalApplied Physics A: Materials Science and Processing
Issue number3
Publication statusPublished - 2005 Aug 1


All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)

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