Spin–phonon coupling and magnetic relaxation in single-molecule magnets

Author:

Kragskow Jon G. C.1,Mattioni Andrea1,Staab Jakob K.1ORCID,Reta Daniel1234ORCID,Skelton Jonathan M.1ORCID,Chilton Nicholas F.1ORCID

Affiliation:

1. Department of Chemistry, The University of Manchester, Manchester, M13 9PL, UK

2. Faculty of Chemistry, The University of the Basque Country UPV/EHU, Donostia, 20018, Spain

3. Donostia International Physics Center (DIPC), Donostia, 20018, Spain

4. IKERBASQUE, Basque Foundation for Science, Bilbao, 48013, Spain

Abstract

Electron–phonon coupling underlies many physical phenomena, but its microscopic origins are nuanced. This Review derives the spin–phonon interactions in molecules from first principles, and describes an implementation for molecular spin dynamics calculations.

Funder

H2020 European Research Council

Royal Society

UK Research and Innovation

University of Manchester

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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