English

Epitaxial-strain-induced multiferroicity in SrMnO$_{3}$ from first principles

Materials Science 2012-09-10 v2 Strongly Correlated Electrons

Abstract

First-principles density-functional calculations reveal a large spin-phonon coupling in cubic SrMnO3_{3}, with ferromagnetic ordering producing a polar instability. Through combination of this coupling with the strain-polarization coupling characteristic of perovskites, the bulk antiferromagnetic paraelectric ground state of SrMnO3_3 is shown to be driven to a previously unreported multiferroic ferroelectric-ferromagnetic state by increasing epitaxial strain, both tensile and compressive. This state has a computed polarization and estimated Curie temperature above 54 μ\muC/cm2^2 and 92 K. Large mixed magnetic-electric-elastic responses are predicted in the vicinity of the phase boundaries.

Keywords

Cite

@article{arxiv.0910.5438,
  title  = {Epitaxial-strain-induced multiferroicity in SrMnO$_{3}$ from first principles},
  author = {Jun Hee Lee and Karin M. Rabe},
  journal= {arXiv preprint arXiv:0910.5438},
  year   = {2012}
}

Comments

5 pages, 2 figures, 1 table