학술논문
Quantum Monte Carlo Simulations and High-Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero-Spin Ring.
Document Type
Article
Author
Source
Subject
*SINGLE molecule magnets
*MAGNETIZATION
*ANTIFERROMAGNETIC materials
*CHROMIUM
*RARE earth metals
*QUANTUM Monte Carlo method
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*
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Language
ISSN
1433-7851
Abstract
Chromium lanthanide heterometallic wheel complexes {Cr8Ln8} (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange-coupling constants with an average of 2.1 K within the {Cr8Gd8} wheel, which leads to a large ground spin state ( ST=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr8Dy8} wheel is a single-molecule magnet. [ABSTRACT FROM AUTHOR]