4.5 Article

Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende InxGa1-xN

Journal

OPTICS COMMUNICATIONS
Volume 237, Issue 4-6, Pages 363-369

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.optcom.2004.04.012

Keywords

energy band structure; numerical simulation; III-V semiconductors

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Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende InxGa1-xN. The deviation parameter of the lattice constant is determined to be -0.004 Angstrom. A band gap bowing parameter of 1.890 +/- 0.097 eV is obtained with the equilibrium lattice constant and 1.857 +/- 0.093 eV is obtained with the lattice constant derived from Vegard's law. (C) 2004 Elsevier B.V. All rights reserved.

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