2006/10/05 by Patrick Rinke, Abdallah Qteish, A. Qteish +7 · 2 citations
Chemistry · Materials Science · Physics and Astronomy · #Band gap #Chemistry #Condensed matter physics #Density functional theory #Effective mass (spring–mass system) #Electronic band structure #Electronic structure #GW approximation #Ga2O3 and related materials #GaN-based semiconductor devices and materials #Hamiltonian (control theory) #Materials science #Physics #Quantum mechanics #Quasiparticle #Semiconductor Quantum Structures and Devices #Superconductivity #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.2364469
published as Appl. Phys. Lett. 89, 161919 (2006) · 3 pages including 3 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html
arxiv created 2006/10/05 · openalex publication_date 2006/10/16 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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.