The DOI matches its Crossref record; 43 of the 43 references it cites were found in a registry or an index.
Merits and limits of the modified Becke-Johnson exchange potential
Abstract
The modified Becke-Johnson exchange potential [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] (TB-mBJ) is tested on various types of solids which are difficult to describe theoretically: nonmagnetic semiconducting transition-metal oxides and sulfides, metals (Fe, Co, Ni, and Cu), and (anti)ferromagnetic insulators (e.g., YBa${}_{2}$Cu${}_{3}$O${}_{6}$). The results for the band gap and other quantities such as the magnetic moment or electric field gradient are analyzed in detail, in particular to have a better understanding of the mechanism which leads to improved (or sometimes worse) results with the TB-mBJ potential compared to the standard local density and generalized gradient approximations.
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Citations
Cites
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Comprehensive search for topological materials using symmetry indicators
Tang, F., Po, H. C., Vishwanath, A., & Wan, X. (2019) · Nature · doi:10.1038/s41586-019-0937-5 · Cited by 761
Predicting the Band Gaps of Inorganic Solids by Machine Learning
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Quadratic Fermi node in a 3D strongly correlated semimetal
Kondo, T., Nakayama, M., Chen, R., Ishikawa, J. J., Moon, E.-G., Yamamoto, T., Ota, Y., Malaeb, W., Kanai, H., Nakashima, Y., et al. (2015) · Nature Communications · doi:10.1038/ncomms10042 · Cited by 190
Pela, R. R., Hsiao, C.-L., Hultman, L., Birch, J., & Gueorguiev, G. K. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp05295h · Cited by 75
Metadata
- Authors
- Koller, D., Tran, F., & Blaha, P.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-05-31
- Volume
- 83
- Issue
- 19
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2026490660
- Cited by
- 1,079
- References
- 43
- FWCI
- 27.11
- Type
- journal article
- Language
- en
- Open access
- closed
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