Please use this identifier to cite or link to this item: https://doi.org/10.1021/jz4017206
Title: Key Role of Frustration in Suppression of Magnetization Blocking in Single-Molecule Magnets
Authors: Vieru, Veacheslav
Ungur, Liviu 
Chibotaru, Liviu F
Keywords: Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Physics, Atomic, Molecular & Chemical
Chemistry
Science & Technology - Other Topics
Materials Science
Physics
SPIN QUBITS
RELAXATION
COMPLEXES
EXCHANGE
DYSPROSIUM(III)
HYSTERESIS
CLUSTER
SPACE
STATE
ION
Issue Date: 7-Nov-2013
Publisher: AMER CHEMICAL SOC
Citation: Vieru, Veacheslav, Ungur, Liviu, Chibotaru, Liviu F (2013-11-07). Key Role of Frustration in Suppression of Magnetization Blocking in Single-Molecule Magnets. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 (21) : 3565-3569. ScholarBank@NUS Repository. https://doi.org/10.1021/jz4017206
Abstract: State-of-the-art ab initio calculations of a series of endohedral fullerenes DynSc3-nN@C80 (n = 1,2,3) are performed, and their anisotropic magnetic properties are described from the first principles. Contrary to general expectation that molecules of higher nuclearity (n) exhibit better magnetic blocking properties, we predict Dy 3N@C80 to be a relatively weak single-molecule magnet due to its frustrated ground state. This finding, relevant to polynuclear magnetic molecules in general, demonstrates the crucial role played by magnetic frustration in the suppression of magnetization blocking in single-molecule magnets. © 2013 American Chemical Society.
Source Title: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
URI: https://scholarbank.nus.edu.sg/handle/10635/228855
ISSN: 19487185
DOI: 10.1021/jz4017206
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