Orbital-ordering-induced ferroelectricity in SrCrO3

Gupta, Kapil ; Mahadevan, Priya ; Mavropoulos, Phivos ; Ležaić, Marjana (2013) Orbital-ordering-induced ferroelectricity in SrCrO3 Physical Review Letters, 111 (7). Article ID 077601. ISSN 0031-9007

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Official URL: http://journals.aps.org/prl/abstract/10.1103/PhysR...

Related URL: http://dx.doi.org/10.1103/PhysRevLett.111.077601


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.

Item Type:Article
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ID Code:102849
Deposited On:02 Feb 2018 03:56
Last Modified:02 Feb 2018 03:56

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