As a result of the interplay between lattice and spin subsystems, we also observe additional longitudinal spin wave excitations, with frequencies which coincide with that of the longitudinal lattice vibrations. By calculating Fourier transforms of space- and time-displaced correlation functions, we demonstrate that the the presence of lattice vibrations leads to noticeable softening and damping of spin wave modes. The temporal evolution of translational and spin degrees of freedom was determined by numerically solving the coupled equations of motion, using an algorithm based on the second order Suzuki-Trotter decomposition of the exponential more ยป operators. The atomic interactions are modeled via an empirical many-body potential while spin dependent interactions are established through a Hamiltonian of the Heisenberg form with a distance dependent magnetic exchange interaction obtained from first principles electronic structure calculations. Using a classical model that treats translational and spin degrees of freedom on an equal footing, we study phonon-magnon interactions in BCC iron with combined molecular and spin dynamics methods. Center for Defect Physics in Structural Materials (CDP) Sponsoring Org.: USDOE Office of Science (SC), Basic Energy Sciences (BES) OSTI Identifier: 1346687 Alternate Identifier(s): OSTI ID: 1341268 Grant/Contract Number: AC05-00OR22725 Resource Type: Journal Article: Accepted Manuscript Journal Name: Physical Review B Additional Journal Information: Journal Volume: 95 Journal Issue: 1 Journal ID: ISSN 2469-9950 Publisher: American Physical Society (APS) Country of Publication: United States Language: English Subject: 74 ATOMIC AND MOLECULAR = , Publication Date: Research Org.: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States) Energy Frontier Research Centers (EFRC) (United States). of North Carolina, Asheville, NC (United States) Center for Simulational Physics Mississippi State Univ., Mississippi State, MS (United States).
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