Ab initio prediction of a multiferroic with large polarization and magnetization

Baettig, Pio; Spaldin, Nicola A.

doi:10.1063/1.1843290

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Journal article

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 µ_B per formula unit), far exceeding the properties of any known multiferroic.

Faculty

Faculté des sciences et de médecine

Department

Département de Chimie

Language