Print Email Facebook Twitter Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling Title Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: A combined spin and ab initio molecular dynamics study Author Stockem, Irina (Linköping University; Max-Planck-Institut für Eisenforschung) Bergman, Anders (CEA-CNRS-INRIA-Universite Paris-Sud-Universite de Versailles) Glensk, Albert (Max-Planck-Institut für Eisenforschung) Hickel, Tilmann (Max-Planck-Institut für Eisenforschung) Körmann, F.H.W. (TU Delft (OLD) MSE-7; Max-Planck-Institut für Eisenforschung) Grabowski, Blazej (Max-Planck-Institut für Eisenforschung) Neugebauer, Jörg (Max-Planck-Institut für Eisenforschung) Alling, Björn (Linköping University; Max-Planck-Institut für Eisenforschung) Date 2018 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. To reference this document use: http://resolver.tudelft.nl/uuid:e293d3ca-b1f4-4901-af11-d7f372bdfff7 DOI https://doi.org/10.1103/PhysRevLett.121.125902 ISSN 0031-9007 Source Physical Review Letters, 121 (12) Part of collection Institutional Repository Document type journal article Rights © 2018 Irina Stockem, Anders Bergman, Albert Glensk, Tilmann Hickel, F.H.W. Körmann, Blazej Grabowski, Jörg Neugebauer, Björn Alling Files PDF PhysRevLett.121.125902_1.pdf 912.81 KB Close viewer /islandora/object/uuid:e293d3ca-b1f4-4901-af11-d7f372bdfff7/datastream/OBJ/view