The DOI matches its Crossref record; 36 of the 36 references it cites were found in a registry or an index.
Effects of cationdstates on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductors
Abstract
Using first-principles methods based on density functional theory within the local density approximation (LDA) we calculate the structural and electronic properties of wurtzite MgO, ZnO, and CdO, and discuss their similarities and dissimilarities with the corresponding Group-III nitrides AlN, GaN, and InN. We treat the semicore $d$ states of Zn, Cd, Ga, and In explicitly as valence states in a pseudopotential approach, investigate the effects of including on-site Coulomb interaction for Zn, Cd, Ga, and In semicore $d$ states within the $\mathrm{LDA}+U$ method, and propose a novel approach to calculate the parameter $U$. Our results show that the $\mathrm{LDA}+U$ approach systematically improves the LDA band gap by indirectly acting on both the valence-band maximum and conduction-band minimum. We also discuss the effects of the on-site Coulomb interaction on structural parameters and absolute deformation potentials of ZnO, CdO, GaN, and InN.
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Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Band theory and Mott insulators: Hubbard U instead of Stoner I
Anisimov, V. I., Zaanen, J., & Andersen, O. K. (1991) · Physical Review B · doi:10.1103/physrevb.44.943 · Cited by 7,505
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
Liechtenstein, A. I., Anisimov, V. I., & Zaanen, J. (1995) · Physical Review B · doi:10.1103/physrevb.52.r5467 · Cited by 4,803
Anisimov, V. I., Aryasetiawan, F., & Lichtenstein, A. I. (1997) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/9/4/002 · Cited by 4,141
Cited by
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
Tan, J. C., & Cheetham, A. K. (2011) · Chemical Society Reviews · doi:10.1039/c0cs00163e · Cited by 762
Computationally predicted energies and properties of defects in GaN
Lyons, J. L., & Van de Walle, C. G. (2017) · npj Computational Materials · doi:10.1038/s41524-017-0014-2 · Cited by 312
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Metadata
- Authors
- Janotti, A., Segev, D., & Van de Walle, C. G.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2006-07-11
- Volume
- 74
- Issue
- 4
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2052084824
- Cited by
- 353
- References
- 36
- FWCI
- 17.45
- Type
- journal article
- Language
- en
- Open access
- closed
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- Janotti, A., Segev, D., & Van de Walle, C. G. (2006). Effects of cationdstates on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductors. Physical Review B. https://doi.org/10.1103/physrevb.74.045202
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