Biferroic Y Cr O 3

By C. Serrao, A. Kundu, S. .. Krupanidhi, Umesh V. Waghmare, C. Rao. 2005

193 citations recorded by the source corpus.

$\mathrm{Y}\mathrm{Cr}{\mathrm{O}}_{3}$, which has a monoclinic structure, shows weak ferromagnetism below $140\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ $({T}_{N})$ and a ferroelectric transition at $473\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ accompanied by hysteresis. We have determined the structure and energetics of $\mathrm{Y}\mathrm{Cr}{\mathrm{O}}_{3}$ 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 $\mathrm{Y}\mathrm{Cr}{\mathrm{O}}_{3}$.

Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/5b54cd2374aa6285cc16e28d22e3a49b198fd5e5