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

Stockem, Irina (author): Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Max Planck Inst Eisenforsch GmbH, Germany

Koermann, Fritz (author): Max Planck Inst Eisenforsch GmbH, Germany; Delft Univ Technol, Netherlands

Alling, Björn (author): Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Max Planck Inst Eisenforsch GmbH, Germany

(creator_code:org_t)

AMER PHYSICAL SOC, 2018
2018
English.
In: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 121:12

Related links:: https://liu.diva-por... (primary) (Raw object); show more...; https://urn.kb.se/re...; https://doi.org/10.1...; show less...

Abstract Subject headings

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.

By the author/editor: Stockem, Irina; Bergman, Anders; Glensk, Albert; Hickel, Tilmann; Koermann, Fritz; Grabowski, Blaze ...; show more...; Neugebauer, Joer ...; Alling, Björn; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

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