Collective dynamics in atomistic models with coupled translational and spin degrees of freedom

Abstract

Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to investigate the mutual influence of the phonons and magnons on their respective frequency spectra and lifetimes in ferromagnetic bcc iron. By calculating the Fourier transforms of the space- and time-displaced correlation functions, the characteristic frequencies and the linewidths of the vibrational and magnetic excitation modes were determined. Comparison of the results with that of the stand-alone molecular dynamics and spin dynamics simulations reveals that the dynamic interplay between the phonons and magnons leads to a shift in the respective frequency spectra and a decrease in the lifetimes. Moreover, in the presence of lattice vibrations, additional longitudinal magnetic excitations were observed with the same frequencies as the longitudinal phonons.

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Cited by in corpus (11)

• Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics
• General method for atomistic spin-lattice dynamics with first principles accuracy
• Anomalous phonon lifetime shortening in paramagnetic CrN caused by magneto-lattice coupling: A combined spin and ab initio molecular dynamics study
• Modeling coupled spin and lattice dynamics
• Microscopic Theory for Coupled Atomistic Magnetization and Lattice Dynamics
• Spin-lattice model for cubic crystals
• Size and temperature dependent magnetization of iron nanoclusters
• Atomistic simulations of magnetoelastic effects on sound velocity
• Indirect Exchange Interaction Leads to Large Lattice Contribution to Magnetocaloric Entropy Change
• Discrete Laplacian Thermostat for Spin Systems with Conserved Dynamics
• The BKT Transition and its Dynamics in a Spin Fluid