Dresden 2009 – scientific programme
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MA: Fachverband Magnetismus
MA 38: Multiferroics
MA 38.8: Talk
Thursday, March 26, 2009, 17:00–17:15, HSZ 103
Ab-initio prediction of room temperature multiferroic materials — •Marjana Ležaić1 and Nicola A. Spaldin2 — 1Institut für Festkörperforschung and Institute for advanced Simulation, Forschungszentrum Jülich, 52425 Jülich, Germany — 2Materials Department, University of California, Santa Barbara, California 93106-5050, USA
Recently a new ordered double perovskite, Sr2CrOsO6 was synthesized [1]. This compound is
an insulating ferrimagnet with an unusually high Curie temperature of 725 K.
With this experiment in mind, we investigate double perovskite compounds (A2BB′O6)
from first principles, focusing on one of the main challenges for the applications of
multiferroics: ferroelecticity accompanied by a net magnetization at
room temperature. We demonstrate that ferroelectricity can be induced in these
compounds by utilizing an A-site cation possessing a stereochemically active lone pair of
electrons. Combining a 3d and a 5d
element at the B and B′ sites in an ordered fashion leads to the
increase of the magnetic ordering temperature of these ferrimagnets.
We also indicate the possibility of
strain-assisted switching between antiferroelectric and ferroelectric
states.
[1] Y. Krockenberger et al., Phys. Rev. B 75, 020404(R) (2007).