Merits and limits of the modified Becke-Johnson exchange potential

By D. Koller, Fabien Tran, Peter Blaha. 2011

864 citations recorded by the source corpus.

Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/b5f37691e43e3201d9edc099c9c1e731f0b42796

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In Condensed Matter Physics

1. R. Jishi
2. A. Sharif
3. O. Ta

In Electronic, Optical and Magnetic Materials

1. R. Jishi
2. A. Sharif
3. O. Ta

Citations in the corpus

• Electronic and thermoelectric properties of the layered BaFAg Ch ( Ch  = S, Se and Te): First-principles study (2018, background): “Fortunately, Tran and Blaha [40e42] have developed a new functional entitled Tran-Blaha modified Beck-Johnson potential (denoted TB-mBJ), which better describes the electronic properties and gives rise to better estimation of the band gap [43].”
• Modeling of Lead Halide Perovskites for Photovoltaic Applications (2014, methodology): “Studies have shown that the TB-mBJ potential is generally as accurate in predicting the energy gaps of many semiconductors as the much more expensive GW method.(28)”