Journal
OPTICS COMMUNICATIONS
Volume 249, Issue 1-3, Pages 217-223Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.optcom.2005.01.013
Keywords
energy band structure; bowing parameter; III-V semiconductors
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Numerical simulation based on first-principles calculation is applied to study the structural characteristics and bandenergy 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 angstrom for the a lattice constant, and -0.117 +/- 0.026 angstrom 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. (c) 2005 Elsevier B.V. All rights reserved.
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