We examine the electronic properties of the newly discovered "ferroelectric metal" LiOsO3 combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic correlations can be tuned to engineer a Mott multiferroic state in the 1/1 superlattice of LiOsO<inf>3</inf> and LiNbO<inf>3</inf>. We use electronic structure calculations to predict that the (LiOsO<inf>3</inf>)<inf>1</inf>/(LiNbO<inf>3</inf>)<inf>1</inf> superlattice exhibits strong coupling between magnetic and ferroelectric degrees of freedom with a ferroelectric polarization of 41.2 ?C cm-2, Curie temperature of 927 K, and Néel temperature of 379 K. Our results support a route towards high-temperature multiferroics, i.e., driving nonmagnetic polar metals into correlated insulating magnetic states.
Design of a Mott Multiferroic from a Nonmagnetic Polar Metal
Giovannetti G;Capone M;
2015
Abstract
We examine the electronic properties of the newly discovered "ferroelectric metal" LiOsO3 combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic correlations can be tuned to engineer a Mott multiferroic state in the 1/1 superlattice of LiOsOI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
