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28 February 2012 Biaxial strain effects on the electronic band structure of wurtzite InxGa1-xN alloys using first-principles calculations
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Abstract
Numerical simulation based on first-principles calculations is applied to study the energy band structural characteristics and the band-gap properties of wurtzite InGaN. The results show that the direct band gap, the band gap bowing parameter, the width of valence band, and the width of top valence band increase with compressive strain and decrease with tensile strain. The biaxial strain effect on the indirect band gap is little. In general, there is a larger band gap bowing parameter and larger strain-induced band gap bowing variation in Ga-rich alloys. In addition, the direct band gap, the indirect band gap, the width of valence band, and the width of top valence band decrease with increase of indium composition. Wurtzite InGaN remains the characteristic of a direct band gap material under biaxial stress.
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Bo-Ting Liou, Bang-Yenn Wu, and Yen-Kuang Kuo "Biaxial strain effects on the electronic band structure of wurtzite InxGa1-xN alloys using first-principles calculations", Proc. SPIE 8255, Physics and Simulation of Optoelectronic Devices XX, 825520 (28 February 2012); https://doi.org/10.1117/12.907701
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