Electronic Band Structure of InxGa1-xN under Pressure
I. Gorczyca a, N.E. Christensen b, A. Svane b, K. Laaksonen c and R.M. Nieminen c
aInstitute of High Pressure Physics,“Unipress”, Sokołowska 29/37, 01-142 Warsaw, Poland
bDepartment of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark
cLaboratory of Physics, Helsinki University of Technology, 02015 HUT, Finland
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Received: 9 06 2007;
The electronic band structures of zinc-blende InxGa1-xN 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.
DOI: 10.12693/APhysPolA.112.203
PACS numbers: 71.15.Mb, 71.55.Eq, 71.20.-b