Magnetic Anisotropy in Divalent Lanthanide Compounds.
ab initio calculations
divalent charge
lanthanides
magnetization blocking barrier
Journal
Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
Titre abrégé: Angew Chem Int Ed Engl
Pays: Germany
ID NLM: 0370543
Informations de publication
Date de publication:
27 Jul 2020
27 Jul 2020
Historique:
received:
05
03
2020
pubmed:
28
4
2020
medline:
28
4
2020
entrez:
28
4
2020
Statut:
ppublish
Résumé
Complexes of trivalent lanthanides (Ln) are known to possess strong magnetic anisotropy, which enables them to be efficient single-molecule magnets. High-level ab initio calculations are reported for [LnO] (where Ln is terbium (Tb), dysprosium (Dy), or holmium (Ho)), which show that divalent lanthanides can exhibit equally strong magnetic anisotropy and magnetization blocking barriers. In particular, detailed calculations predict a multilevel magnetization blocking barrier exceeding 3000 K for a [DyO] complex deposited on a hexagonal boron nitride (h-BN) surface, bringing the expected performance of single-molecule magnets to a qualitatively new level compared to the current state-of-the art complexes.
Identifiants
pubmed: 32338815
doi: 10.1002/anie.202003399
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
12720-12724Subventions
Organisme : NATIONAL SUPERCOMPUTING CENTRE (NSCC) SINGAPORE
ID : ASPIRE-1, grant 11001278
Organisme : National University of Singapore
ID : R-143-000-A80-114 and R-143-000-A65-133
Informations de copyright
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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