Biferroic YCrO3

Details Biferroic YCrO3 Biferroic YCrO3

2005-11-02

arxiv.org/abs/cond-mat/0511045v1

Phys. Rev. B 72, 220101(R), 2005.

Physics

Condensed Matter

Materials Science

16 pages including figures

Scientific paper

10.1103/PhysRevB.72.220101

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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