title: Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.
abstract: An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.
authors.affiliation: Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany.
authors.forename: F
authors.initials: F
authors.lastname: Körmann
authors.affiliation: Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany.
authors.forename: B
authors.initials: B
authors.lastname: Grabowski
authors.affiliation: Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany.
authors.forename: B
authors.initials: B
authors.lastname: Dutta
authors.affiliation: Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany.
authors.forename: T
authors.initials: T
authors.lastname: Hickel
authors.affiliation: California Institute of Technology, W. M. Keck Laboratory 138-78, Pasadena, California 91125, USA.
authors.forename: L
authors.initials: L
authors.lastname: Mauger
authors.affiliation: California Institute of Technology, W. M. Keck Laboratory 138-78, Pasadena, California 91125, USA.
authors.forename: B
authors.initials: B
authors.lastname: Fultz
authors.affiliation: Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany.
authors.forename: J
authors.initials: J
authors.lastname: Neugebauer