Band gap calculations with Becke–Johnson exchange potential
By Fabien Tran, Peter Blaha, Karlheinz Schwarz. 2007
336 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Geophysics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/71ac5fafc425d3c6bc63d1abb1916d6b83a96a96
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In Atomic and Molecular Physics, and Optics
- R. Jishi
- A. Sharif
- O. Ta
- Miguel A. L. Marques
- Silvana Botti
- Jonathan Schmidt
- Pedro Borlido
- Ahmad W. Huran
In Geophysics
- R. Jishi
- A. Sharif
- O. Ta
- Miguel A. L. Marques
- Ahmad W. Huran
- Jonathan Schmidt
- Silvana Botti
- Pedro Borlido
In Materials Chemistry
- R. Jishi
- A. Sharif
- O. Ta
- Miguel A. L. Marques
- Silvana Botti
- Jonathan Schmidt
- Pedro Borlido
- Ahmad W. Huran
Citations in the corpus
- Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning (2020, methodology): “As EV93 is an exchange-only functional, in this work, as in previous works 75,76 , it is used in conjunction with the GGA correlation PW91 (EV93PW91).”
- Modeling of Lead Halide Perovskites for Photovoltaic Applications (2014, background): “Unfortunately, the use of this potential led to a slight improvement in the energy gap values for many semiconductors.(25) A simple modification of the BJ potential was proposed by Tran and Blaha.”