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A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets

[Image: see text] We discuss a cost-effective approach to understand magnetic relaxation in the new generation of rare-earth single-molecule magnets. It combines ab initio calculations of the crystal field parameters, of the magneto-elastic coupling with local modes, and of the phonon density of sta...

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Detalles Bibliográficos
Autores principales:	Garlatti, Elena, Chiesa, Alessandro, Bonfà, Pietro, Macaluso, Emilio, Onuorah, Ifeanyi J., Parmar, Vijay S., Ding, You-Song, Zheng, Yan-Zhen, Giansiracusa, Marcus J., Reta, Daniel, Pavarini, Eva, Guidi, Tatiana, Mills, David P., Chilton, Nicholas F., Winpenny, Richard E. P., Santini, Paolo, Carretta, Stefano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8450932/ https://www.ncbi.nlm.nih.gov/pubmed/34491740 http://dx.doi.org/10.1021/acs.jpclett.1c02367

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