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

When 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. Furthermore, 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. A 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.
Authors:
 [1] ;  [2] ;  [3] ;  [3] ;  [4]
  1. Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics; Mississippi State Univ., Mississippi State, MS (United States). Dept. of Physics and Astronomy
  2. Univ. of North Carolina, Asheville, NC (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
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)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Defect Physics in Structural Materials (CDP)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS
OSTI Identifier:
1346687
Alternate Identifier(s):
OSTI ID: 1341268

Perera, Dilina, Nicholson, Don M., Eisenbach, Markus, Stocks, G. Malcolm, and Landau, David P.. Collective dynamics in atomistic models with coupled translational and spin degrees of freedom. United States: N. p., Web. doi:10.1103/PhysRevB.95.014431.
Perera, Dilina, Nicholson, Don M., Eisenbach, Markus, Stocks, G. Malcolm, & Landau, David P.. Collective dynamics in atomistic models with coupled translational and spin degrees of freedom. United States. doi:10.1103/PhysRevB.95.014431.
Perera, Dilina, Nicholson, Don M., Eisenbach, Markus, Stocks, G. Malcolm, and Landau, David P.. 2017. "Collective dynamics in atomistic models with coupled translational and spin degrees of freedom". United States. doi:10.1103/PhysRevB.95.014431. https://www.osti.gov/servlets/purl/1346687.
@article{osti_1346687,
title = {Collective dynamics in atomistic models with coupled translational and spin degrees of freedom},
author = {Perera, Dilina and Nicholson, Don M. and Eisenbach, Markus and Stocks, G. Malcolm and Landau, David P.},
abstractNote = {When 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. Furthermore, 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. A 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.},
doi = {10.1103/PhysRevB.95.014431},
journal = {Physical Review B},
number = 1,
volume = 95,
place = {United States},
year = {2017},
month = {1}
}