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Issue 6, 2009
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Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles

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Abstract

The unusual magnetism exhibited by dysprosium triangles [Dy33-OH)2L3Cl2(H2O)4][Dy33-OH)2L3Cl(H2O)5]Cl5·19H2O is explained using the recently developed ab initio methodology for the simulation of magnetic properties of complexes. The local anisotropy axes on the dysprosium sites are found to lie in the plane of the Dy3 triangle and to make angles of ca. 120° with each other. The small antiferromagnetic exchange interaction between sites leads to a non-magnetic Kramers doublet in the ground state of the complex. The arrangement of the local magnetization vectors in this state is close to toroidal. By contrast, the lowest excited states are characterized by a huge magnetic moments of ca. 20 μB and show very different behavior of magnetization for fields applied along and perpendicular to the plane of the Dy3 triangle.

Graphical abstract: Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles

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Article information


Submitted
17 Feb 2009
Accepted
25 Feb 2009
First published
08 Apr 2009

New J. Chem., 2009,33, 1224-1230
Article type
Paper

Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles

L. Ungur, W. Van den Heuvel and L. F. Chibotaru, New J. Chem., 2009, 33, 1224
DOI: 10.1039/B903126J

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