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First-principles calculation for bowing parameter of wurtzite InxGa1 − xN

✍ Scribed by Bo-Ting Liou; Cheng-Yang Lin; Sheng-Horng Yen; Yen-Kuang Kuo

Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 147 KB
Volume: 249
Category: Article
ISSN: 0030-4018
DOI: 10.1016/j.optcom.2005.01.013

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✦ Synopsis

Numerical simulation based on first-principles calculation is applied to study the structural characteristics and bandenergy properties of wurtzite In x Ga 1 À x N. The lattice constants a and c apparently deviate from the VegardÕs law. The deviation parameter is 0.047 ± 0.011 A ˚for the a lattice constant, and À0.117 ± 0.026 A ˚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 VegardÕs law.

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First-principles calculation for bowing parameter of wurtzite InxGa1&#xa0;−&#xa0;xN

✦ Synopsis

First-principles calculation for bowing parameter of wurtzite InxGa1 − xN