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First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite
Open accessAbstract
We present results of local spin density approximation (LSDA) pseudopotential calculations for the perovskite structure oxide, bismuth manganite $({\mathrm{BiMnO}}_{3}).$ The origin of the differences between bismuth manganite and other perovskite manganites is determined by first calculating total energies and band structures of the high symmetry cubic phase, then sequentially lowering the magnetic and structural symmetry. Our results indicate that covalent bonding between bismuth cations and oxygen anions stabilizes different magnetic and structural phases compared with the rare earth manganites. This is consistent with recent experimental results showing enhancement of charge ordering in doped bismuth manganite.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
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
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Structural complexity of(Na0.5Bi0.5)TiO3-BaTiO3as revealed by Raman spectroscopy
Wylie-van Eerd, B., Damjanovic, D., Klein, N., Setter, N., & Trodahl, J. (2010) · Physical Review B · doi:10.1103/physrevb.82.104112 · Cited by 303
Mehring, M. (2007) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2006.06.005 · Cited by 293
Structural and multiferroic properties of BiFeO3 thin films at room temperature
Yun, K. Y., Noda, M., Okuyama, M., Saeki, H., Tabata, H., & Saito, K. (2004) · Journal of Applied Physics · doi:10.1063/1.1775045 · Cited by 272
Self-interaction-corrected pseudopotential scheme for magnetic and strongly-correlated systems
Filippetti, A., & Spaldin, N. A. (2003) · Physical Review B · doi:10.1103/physrevb.67.125109 · Cited by 260
Metadata
- Authors
- Hill, N. A., & Rabe, K. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1999-04-01
- Volume
- 59
- Issue
- 13
- Pages
- 8759-8769
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2119405933
- Cited by
- 343
- References
- 2
- FWCI
- 4.45
- Type
- journal article
- Language
- en
- Open access
- green
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- Hill, N. A., & Rabe, K. M. (1999). First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite. Physical Review B. https://doi.org/10.1103/physrevb.59.8759
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