Journal
PHYSICAL REVIEW B
Volume 82, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.115102
Keywords
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Funding
- Danish Center for Scientific Computing Center (DCSC)
- Danish Agency for Science, Technology and Innovation
- NSF [QMHP-0802216]
- Div Of Electrical, Commun & Cyber Sys
- Directorate For Engineering [0802216] Funding Source: National Science Foundation
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The electronic band structures of InN, GaN, and a hypothetical ordered InGaN2 compound, all in the wurtzite crystal structure, are calculated using the quasiparticle self-consistent GW approximation. This approach leads to band gaps which are significantly improved compared to gaps calculated on the basis of the local approximation to density functional theory, although generally overestimated by 0.2-0.3 eV in comparison with experimental gap values. Details of the electronic energies and the effective masses including their pressure dependence are compared with available experimental information. The band gap of InGaN2 is considerably smaller than what would be expected by linear interpolation implying a significant band gap bowing in InGaN alloys.
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