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

Research output: Contribution to journalArticleScientificpeer-review

19 Citations (Scopus)
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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.

Original languageEnglish
Article number125902
Number of pages6
JournalPhysical Review Letters
Volume121
Issue number12
DOIs
Publication statusPublished - 2018

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