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arXiv · 1308.1558

Orbital ordering induced ferroelectricity in SrCrO3

Kapil Gupta·Priya Mahadevan·Phivos Mavropoulos·Marjana Lezaic
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Abstract

Using density functional theory calculations, ultrathin films of SrVO3(d1) and SrCrO3(d2) on SrTiO3 substrates have been studied as possible multiferroics. Although both are metallic in the bulk limit, they are found to be insulating as a result of orbital ordering driven by lattice distortions at the ultrathin limit. While the distortions in SrVO3 have a first-order Jahn-Teller origin, those in SrCrO3 are ferroelectric in nature. This route to ferroelectricity (FE) results in polarizations comparable with conventional ferroelectrics.

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Kapil Gupta, Priya Mahadevan, Phivos Mavropoulos, Marjana Lezaic. 2013-08-07. Orbital ordering induced ferroelectricity in SrCrO3. https://doi.org/10.1103/physrevlett.111.077601

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