Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
By Patrick Rinke, Abdallah Qteish, M. Winkelnkemper, D. Bimberg, Jörg Neugebauer, Matthias Scheffler. 2006
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The authors have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN their approach predicts a gap of 0.7eV. Taking the Burnstein-Moss effect into account, the increase of the apparent quasiparticle gap with increasing electron concentration is in good agreement with the observed blueshift of the experimental optical absorption edge. Moreover, the concentration dependence of the effective mass, which results from the nonparabolicity of the conduction band, agrees well with recent experimental findings. Based on the quasiparticle band structure the parameter set for a 4×4k∙p Hamiltonian has been derived.
Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Electronic, Optical and Magnetic Materials
View Paper: https://www.semanticscholar.org/paper/d32e80c17ec68ca2ebeda863c1505048f160542b
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In Atomic and Molecular Physics, and Optics
In Condensed Matter Physics
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Citations in the corpus
- Orbital-dependent density functionals: Theory and applications (2008, background): “…LSDA gap is negative, such as InN or ScN, exactexchange calculations, while not yielding sufficiently accurate gap values themselves, were found to provide a much better starting point than the LSDA for a pertur- bative GW correction to the gap Rinke et al., 2005, 2006, 2007; Qteish et al., 2006 .”