Reconsidering spin-phonon relaxation in magnetic molecules

Gu, Lei; Li, Jie; Wu, Ruqian

doi:10.1016/j.jmmm.2022.170138

Reconsidering spin-phonon relaxation in magnetic molecules

Journal Article · Tue Nov 01 00:00:00 EDT 2022 · Journal of Magnetism and Magnetic Materials

DOI:https://doi.org/10.1016/j.jmmm.2022.170138· OSTI ID:2419149

Gu, Lei ^[1]; Li, Jie ^[2]; ^[2]

Univ. of California, Irvine, CA (United States); OSTI
Univ. of California, Irvine, CA (United States)

Because of the larger intra-molecular distortion, optical phonons usually have stronger spin-phonon coupling than acoustic phonons in molecular magnets. This property may pose problems to the theory of spin relaxation in ordinary paramagnetic materials, which have served as the basis for the understanding of spin dynamics in molecular magnets for decades. In this review, we explain why the Raman processes driven by optical phonons can play a dominant role at low temperature and provide unconventional dependence between relaxation time and temperature. Especially, we emphasize that the sub-barrier relaxation and anomalously low Raman exponents are two common signatures of the dominance. Here, we also present the algorithm and implementation for calculating spin-phonon relaxation in molecular solids with density functional theory codes.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER46237

OSTI ID:: 2419149

Alternate ID(s):: OSTI ID: 1961677

Journal Information:: Journal of Magnetism and Magnetic Materials, Journal Name: Journal of Magnetism and Magnetic Materials Journal Issue: P2 Vol. 564; ISSN 0304-8853

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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