Magnetic anisotropy in divalent lanthanide compounds
- 1. Department of Chemistry, KU Leuven, Leuven, 3001 (Belgium)
- 2. Department of Chemistry, National University of Singapore, Singapore, 117543 (Singapore)
Description
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. (© 2020 Wiley‐VCH Verlag GmbH and Co. KGaA, Weinheim)
Additional details
Identifiers
Publishing Information
- Journal Title
- Angewandte Chemie (International Edition)
- Journal Volume
- 59
- Journal Issue
- 31
- Journal Page Range
- p. 12720-12724
- ISSN
- 1433-7851
- CODEN
- ACIEF5
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 51107936
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- ANISOTROPY; BORON NITRIDES; CRYSTAL FIELD; DENSITY FUNCTIONAL METHOD; DYSPROSIUM OXIDES; ELECTRONIC STRUCTURE; GROUND STATES; HEXAGONAL LATTICES; HOLMIUM OXIDES; L-S COUPLING; MAGNETIZATION; MEMORY DEVICES; MULTIPLETS; SURFACE COATING; TERBIUM OXIDES; VALENCE
- Descriptors DEC
- BORON COMPOUNDS; CALCULATION METHODS; CHALCOGENIDES; COUPLING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DEPOSITION; DYSPROSIUM COMPOUNDS; ENERGY LEVELS; HOLMIUM COMPOUNDS; INTERMEDIATE COUPLING; NITRIDES; NITROGEN COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PNICTIDES; RARE EARTH COMPOUNDS; TERBIUM COMPOUNDS; THREE-DIMENSIONAL LATTICES; VARIATIONAL METHODS