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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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Publication details

The article was received on 17 Feb 2009, accepted on 25 Feb 2009 and first published on 08 Apr 2009


Article type: Paper
DOI: 10.1039/B903126J
Citation: New J. Chem., 2009,33, 1224-1230
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    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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