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

Irina Stockem, Anders Bergman, Albert Glensk, Tilmann Hickel, Fritz Körmann, Blazej Grabowski, Jörg Neugebauer, Björn Alling
2018 Physical Review Letters  
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 non-adiabatic effects. Those effects suppress the phonon life times at low temperature compared to an adiabatic approach. The here identified dynamic coupling provides an explanation for the experimentally observed unexpected temperature dependence of the thermal
more » ... ty of magnetic semiconductors above the magnetic ordering temperature.
doi:10.1103/physrevlett.121.125902 fatcat:bwp3ophkhnbovhripmisroromm