The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Towards a quantum theory of polarization in ferroelectrics: The case ofKNbO3
Abstract
The spontaneous macroscopic polarization of perovskite ${\mathrm{KNbO}}_{3}$ is calculated as a Berry's phase using the Bloch functions of the tetragonal crystal. The result P=0.35 C/${\mathrm{m}}^{2}$ supports the measured value 0.37 C/${\mathrm{m}}^{2}$ and implies that earlier data from hysteresis loops are too low. The polarization is linear in the ferroelectric distortion; the Born effective charges show strong variations from nominal ionic values and a large inequivalence of the O ions. Linearity posteriori demonstrates that the polarization of perovskites at finite temperature can be safely predicted assuming the ions frozen in their time-averaged positions.
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Citations
Cites
Theory of polarization of crystalline solids
King-Smith, R. D., & Vanderbilt, D. (1993) · Physical Review B · doi:10.1103/physrevb.47.1651 · Cited by 4,472
Origin of ferroelectricity in perovskite oxides
Cohen, R. E. (1992) · Nature · doi:10.1038/358136a0 · Cited by 3,174
Principles and applications of ferroelectrics and related materials
Kaminow, I. (1978) · IEEE Journal of Quantum Electronics · doi:10.1109/jqe.1978.1069813 · Cited by 2,310
Green’s-function approach to linear response in solids
Baroni, S., Giannozzi, P., & Testa, A. (1987) · Physical Review Letters · doi:10.1103/physrevlett.58.1861 · Cited by 2,109
Berry’s phase for energy bands in solids
Zak, J. (1989) · Physical Review Letters · doi:10.1103/physrevlett.62.2747 · Cited by 1,950
Microscopic Theory of Force Constants in the Adiabatic Approximation
Pick, R. M., Cohen, M. H., & Martin, R. M. (1970) · Physical Review B · doi:10.1103/physrevb.1.910 · Cited by 773
Jansen, H. J. F., & Freeman, A. J. (1984) · Physical Review B · doi:10.1103/physrevb.30.561 · Cited by 724
Cohen, R. E., & Krakauer, H. (1990) · Physical Review B · doi:10.1103/physrevb.42.6416 · Cited by 610
Comment on calculations of electric polarization in crystals
Martin, R. M. (1974) · Physical Review B · doi:10.1103/physrevb.9.1998 · Cited by 215
Ab initiostudy of the spontaneous polarization of pyroelectric BeO
Posternak, M., Baldereschi, A., Catellani, A., & Resta, R. (1990) · Physical Review Letters · doi:10.1103/physrevlett.64.1777 · Cited by 119
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Cited by
Benalcazar, W. A., Bernevig, B. A., & Hughes, T. L. (2017) · Physical Review B · doi:10.1103/physrevb.96.245115 · Cited by 1,389
Metadata
- Authors
- Resta, R., Posternak, M., & Baldereschi, A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1993-02-15
- Volume
- 70
- Issue
- 7
- Pages
- 1010-1013
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2066494106
- Cited by
- 373
- References
- 12
- FWCI
- 9.23
- Type
- journal article
- Language
- en
- Open access
- closed
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