Large spin-phonon coupling and magnetically induced phonon anisotropy in SrMO3 perovskites (M=V,Cr,Mn,Fe,Co)

Jun Hee Lee, Karin M. Rabe

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

First-principles calculations reveal large zone-center spin-phonon coupling and magnetically-driven phonon anisotropy in cubic perovskites SrMO3 (M=V,Cr,Mn,Fe,Co). In particular, the frequency and splitting of the polar Slater mode is found to depend strongly upon magnetic ordering. The coupling is parameterized in a crystal-structure-dependent Heisenberg model, and its main features seen to arise from the Goodenough-Kanamori rules. This coupling can be expected to produce distinct low-energy alternative phases, resulting in a rich variety of coupled magnetic, structural, and electronic phase transitions driven by temperature, stress, electric field, and cation substitution.

Original languageEnglish (US)
Article number104440
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number10
DOIs
StatePublished - Sep 23 2011

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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