Please use this identifier to cite or link to this item: https://doi.org/10.1002/anie.202003399
Title: Magnetic Anisotropy in Divalent Lanthanide Compounds
Authors: Zhang, Weibing
Muhtadi, Almas
Iwahara, Naoya
Ungur, Liviu 
Chibotaru, Liviu F
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
ab initio calculations
divalent charge
lanthanides
magnetization blocking barrier
SINGLE-MOLECULE MAGNET
LASER SPECTROSCOPY
COMPLEXES
ION
DY
CHEMISTRY
EXCHANGE
BLOCKING
Issue Date: 25-May-2020
Publisher: WILEY-V C H VERLAG GMBH
Citation: Zhang, Weibing, Muhtadi, Almas, Iwahara, Naoya, Ungur, Liviu, Chibotaru, Liviu F (2020-05-25). Magnetic Anisotropy in Divalent Lanthanide Compounds. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 (31) : 12720-12724. ScholarBank@NUS Repository. https://doi.org/10.1002/anie.202003399
Abstract: 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.
Source Title: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
URI: https://scholarbank.nus.edu.sg/handle/10635/228839
ISSN: 14337851
15213773
DOI: 10.1002/anie.202003399
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