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arxiv: 1503.01948 · v1 · pith:FW6LNA5Bnew · submitted 2015-03-06 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

Design of a Mott Multiferroic from a Non-Magnetic Polar Metal

classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords electronicliosomottmultiferroicemphlinbomaterialmetal
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We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ 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 1/1 superlattice of LiOsO$_3$ and LiNbO$_3$. We use electronic structure calculations to predict that the (LiOsO$_3$)$_1$/(LiNbO$_3$)$_1$ superlattice is a type-I multiferroic material with a ferrolectric polarization of 41.2~$\mu$C cm$^{-2}$, Curie temperature of 927\,K, and N\'eel temperature of 671\,K. Our results support a route towards high-temperature multiferroics, \emph{i.e.}, driving non-magnetic \emph{polar metals} into correlated insulating magnetic states.

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