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Electronic Band Structure of In_xGa_{1-x}N under Pressure

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Gorczyca I., Christensen N., Svane A., Laaksonen K., Nieminen R.
Acta Physica Polonica A
|
2007
|
vol. 112
|
issue 2
203-208
EN
The electronic band structures of zinc-blende In_xGa_{1-x}N alloys with x varying from 0.03 to 0.5 are examined within the density functional theory. The calculations, including structural optimizations, are performed by means of the full-potential linear muffin-tin-orbital and pseudopotential methods. The effects of varying the composition, x, and of applying external pressure are studied. A composition-dependent band gap bowing parameter in the range of 1.6-2 eV is obtained. A strong nonlinearity in the composition dependence of the pressure coefficient of the band gap is found.
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