Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory

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dc.creatorRinke, Patrick
dc.creatorQteish, Abdallah
dc.creatorWinkelnkemper, Momme
dc.creatorBimberg, Dieter
dc.creatorNeugebauer, Joerg
dc.creatorScheffler, Matthias
dc.date2006-10-05
dc.date.accessioned2026-07-07T07:27:22Z
dc.date.available2026-07-07T07:27:22Z
dc.descriptionWe have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN our approach predicts a gap of 0.7 eV. 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 blue shift of the experimental optical absorption edge. Moreover, the concentration dependence of the effective mass, which results from the non-parabolicity of the conduction band, agrees well with recent experimental findings. Based on the quasiparticle band structure the parameter set for a 4x4 kp Hamiltonian has been derived.
dc.description3 pages including 3 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html
dc.identifierhttps://arxiv.org/abs/cond-mat/0610141
dc.identifierhttp://arxiv.org/abs/cond-mat/0610141
dc.identifierAppl. Phys. Lett. 89, 161919 (2006)
dc.identifierdoi:10.1063/1.2364469
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/117354
dc.subjectMaterials Science
dc.titleBand gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
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