Orbital-ordering-induced ferroelectricity in SrCrO3

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 t...

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Bibliographic Details
Published in:Physical review letters 2013-08, Vol.111 (7), p.077601-077601
Main Authors: Gupta, Kapil, Mahadevan, Priya, Mavropoulos, Phivos, Ležaić, Marjana
Format: Article
Language:English
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Summary: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 results in polarizations comparable with conventional ferroelectrics.
ISSN:1079-7114
DOI:10.1103/PhysRevLett.111.077601