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  Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study

Stockem, I., Bergman, A., Glensk, A., Hickel, T., Körmann, F., Grabowski, B., et al. (2018). Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters, 121(12): 125902. doi:10.1103/PhysRevLett.121.125902.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-7540-2 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-7541-1
Genre: Journal Article

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 Creators:
Stockem, Irina1, 2, Author              
Bergman, Anders3, 4, Author              
Glensk, Albert5, Author              
Hickel, Tilmann5, Author              
Körmann, Fritz5, 6, Author              
Grabowski, Blazej1, Author              
Neugebauer, Jörg7, Author              
Alling, Björn1, 2, Author              
Affiliations:
1Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339              
2Department of Physics, Chemistry and Biology (IFM), Thin Film Physics Division, Linköping University, Linköping, Sweden, ou_persistent22              
3L-Sim, INAC-MEM, CEA, Grenoble, 38000, France, ou_persistent22              
4Maison de la Simulation, USR 3441, CEA-CNRS-INRIA, Université Paris, Sud-Université de Versailles, Gif-sur-Yvette, 91191, France, ou_persistent22              
5Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
6Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands, ou_persistent22              
7Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

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Free keywords: Chromium compounds; Degrees of freedom (mechanics); Lattice vibrations; Magnetic semiconductors; Molecular dynamics; Paramagnetism; Phonons; Spin fluctuations; Temperature distribution; Thermal conductivity; Vibrations (mechanical), Ab initio molecular dynamics; Adiabatic approach; Dynamic couplings; Magnetic ordering temperatures; Non-adiabatic effect; Spin lattice coupling; Temperature dependence; Two degrees of freedom, Nitrogen compounds
 Abstract: We study the mutual coupling of spin fluctuations and lattice vibrations in paramagnetic CrN by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees of freedom are dynamically coupled, leading to nonadiabatic effects. Those effects suppress the phonon lifetimes at low temperature compared to an adiabatic approach. The dynamic coupling identified here provides an explanation for the experimentally observed unexpected temperature dependence of the thermal conductivity of magnetic semiconductors above the magnetic ordering temperature. © 2018 American Physical Society.

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Language(s): eng - English
 Dates: 2018-09-21
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1103/PhysRevLett.121.125902
BibTex Citekey: Stockem2018
 Degree: -

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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 121 (12) Sequence Number: 125902 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1