Ab initio prediction of a multiferroic with large polarization and magnetization
- Baettig, Pio Materials Department, University of California, Santa Barbara, California 93106-5050 - Department of chemistry, University of Fribourg, Switzerland
- Spaldin, Nicola A. Materials Department, University of California, Santa Barbara, California 93106-5050
-
2005
Published in:
- Applied Physics Letters. - 2005, vol. 86, no. 1, p. 012505
English
We describe the design of a magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly insulating ferromagnets are circumvented by incorporating the magnetism through ferrimagnetic behavior. We show that the ordered perovskite Bi₂FeCrO₆ will have a polarization of ~80 µC/cm², a piezoelectric coefficient of 283 µC/cm², and a magnetization of ~160 emu/cm³ (2 µB per formula unit), far exceeding the properties of any known multiferroic.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Chimie
- Language
-
- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
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- RERO DOC 5098
- DOI 10.1063/1.1843290
- Persistent URL
- https://folia.unifr.ch/unifr/documents/299933
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