BiferroicYCrO3

2005/11/02 by Claudy Rayan Serrao, Asish K. Kundu, S. B. Krupanidhi +2 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Ferroelectric and Piezoelectric Materials #Multiferroics and related materials #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.72.220101

published as Phys. Rev. B 72, 220101(R), 2005. · 16 pages including figures

arxiv created 2005/11/02 · openalex publication_date 2005/12/21 · arxiv updated 2009/12/01 · openalex created_date 2016/08/23 · openalex updated_date 2026/07/28

Abstract

YCrO₃, which has a monoclinic structure, shows weak ferromagnetism below 140\phantom\rule0.3em0exK (T_N) and a ferroelectric transition at 473\phantom\rule0.3em0exK 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 noncentrosymmetric monoclinic structure is found to be lower in energy than the orthorhombic structure, supporting the biferroic nature of YCrO₃.

Citations

• Spiral magnetic ordering in bismuth ferrite
• Special points for Brillouin-zone integrations
• Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
• Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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