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Biferroic YCrO3

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arxiv cond-mat/0511045 v1 pith:IAHZZNEU submitted 2005-11-02 cond-mat.mtrl-sci

Biferroic YCrO3

Claudy Rayan Serrao , Asish K. Kundu , S.B. Krupanidhi , Umesh V. Waghmare , C.N.R. Rao This is my paper
classification cond-mat.mtrl-sci
keywords structureycro3biferroicmonoclinicaccompaniedantiferromagneticbasisbelow
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YCrO3 which has a monoclinic structure, shows weak ferromagnetism below 140 K (TN) and a ferroelectric transition at 473 K accompanied by hysteresis. We have determined the structure and energetics of YCrO3 with ferromagnetic and antiferromagnetic ordering by means of first-principles density functional theory calculations, based on pseudopotentials and a plane wave basis. The non-centrosymmetric monoclinic structure is found to be lower in energy than the orthorhombic structure, supporting the biferroic nature of YCrO3.

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