Faculté des sciences

Ab initio prediction of a multiferroic with large polarization and magnetization

Baettig, Pio ; Spaldin, Nicola A.

In: Applied Physics Letters, 2005, vol. 86, p. 012505

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... Plus

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    Summary
    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.