Nicholas F. CHILTON Conference

Exchange coupling and magnetisation dynamics in magnetic molecules

Department of Chemistry, The University of Manchester (United Kingdom)
Research School of Chemistry, The Australian National University, Canberra (Australia)

University of Rennes 1 – Beaulieu Campus
Building 10B, Grandjean Amphitheater

Thursday October 5, 2023 - 9:00 a.m.

Inorganic Theoretical Chemistry team

Contact: Boris Le Guennic (3 35 21) - boris [dot] leguennicatuniv-rennes [dot] fr

We are in an era of unprecedented control over the electronic structure and magnetic properties of rare-earth molecules. This will undoubtedly open new and interesting avenues for their use in optical and magnetic applications, where they already are industry-leading. Here I will discuss our recent work understanding the magnetic exchange coupling in rare-earth multi-metallic molecules from first principles, including our work on using irreducible tensor operators to project ab initio Hamiltonians onto angular momentum basis functions. I will also discuss our developments on the accurate and efficient calculation of molecular spin-phonon coupling and magnetisation dynamics.