Influence of magnetic interaction on lattice dynamics of FeBO3

K Parlinski, J Lazewski, P T Jochym, A Chumakov, Rudolf Rüffer, Georg Kresse

    Publications: Contribution to journalArticlePeer Reviewed

    Abstract

    The lattice dynamics of the antiferromagnetic FeBO3 crystal has been calculated by ab initio density-functional theory and measured by nuclear inelastic absorption spectroscopy. The calculations for the antiferromagnetic phase reproduce the experimental lattice parameters of the unit cell and provide phonori dispersion relations which agree well with the measured partial density of phonon states for the Fe atoms. Calculations for the nonmagnetic configuration lead to a smaller crystal volume and drastically higher phonon frequencies for the Fe atoms.
    Original languageEnglish
    Pages (from-to)275-281
    Number of pages7
    JournalEurophysics Letters
    Volume56
    Issue number2
    DOIs
    Publication statusPublished - 2001

    Austrian Fields of Science 2012

    • 1030 Physics, Astronomy

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