Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential.
By Fabien Tran, Peter Blaha. Physical Review Letters, 2009
4,643 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Geophysics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/5bed74ca43cd4a3f0a8b47852e854e197fba413f
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In Atomic and Molecular Physics, and Optics
- Claudia Felser
- Binghai Yan
- Gian-Marco Rignanese
- Miguel A. L. Marques
- Yan Sun
- Micael J. T. Oliveira
- R. Jishi
- A. Sharif
In Geophysics
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- O. Ta
- Miguel A. L. Marques
- Marc Torrent
- Ahmad W. Huran
- Jonathan Schmidt
- Silvana Botti
In Materials Chemistry
Citations in the corpus
- Recent developments in the ABINIT software package (2016, methodology): “As an example, it has been demonstrated that the TB09 MGGA functional allows a better prediction of the electronic band gaps [47].”
- Two-dimensional boron monolayer sheets. (2012, result): “Mucheffort hasbeendevoted to resolve this band gap problem, such as using the GW approximation,(43) time-dependent DFT,(44) exact exchange,(45) hybrid and screened hybrid functionals,(46) 48 or modified Becke Johnsonpotentials.(49)Although thePBE0 result ofR-sheet differs from previously reported re”