Magnetic properties of a Heisenberg coupled-trimer molecular magnet: General results and application to spin- vanadium clusters

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J. T. Haraldsen,^1,2 T. Barnes,^1,3 J. W. Sinclair,¹ J. R. Thompson,^1,2 R. L. Sacci,^4,5 and J. F. C. Turner^4,6
¹Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA
²Material Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
³Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
⁴Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, USA
⁵Department of Chemistry, University of Victoria, Victoria, British Columbia, V8W 2Y2, Canada
⁶Department of Chemistry, University of Sussex, Brighton, BN1 9RH, United Kingdom

Received 3 June 2008; revised 24 July 2009; published 13 August 2009

Wereport predictions for the energy eigenstates and inelastic neutron-scattering excitationsof an isotropic Heisenberg hexamer consisting of general spin Sand S trimers. Specializing to spin-1/2 ions, we give analyticresults for the energy excitations, magnetic susceptibility, and inelastic neutron-scatteringintensities for this hexamer system. To examine this model further,we compare these calculations to the measured magnetic susceptibility ofa vanadium material, which is considered to be well-defined magneticallyas an isolated S=1/2 V⁴⁺ trimer model. Using our model, wedetermine the amount of intertrimer coupling that can be accommodatedby the measured susceptibility and predict the inelastic neutron-scattering spectrumfor comparison with future measurements.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.80.064406
DOI:	10.1103/PhysRevB.80.064406
PACS:	75.10.-b; 75.30.Cr; 75.75.+a; 78.70.Nx 75.10.-b General theory and models of magnetic ordering 75.30.Cr Saturation moments and magnetic susceptibilities in magnetically ordered materials 75.75.+a Magnetic properties of nanostructures 78.70.Nx Neutron inelastic scattering (condensed matter) YEAR: 2009
KEYWORDS:	atomic clusters, eigenvalues and eigenfunctions, magnetic structure, magnetic susceptibility, molecular magnetism, neutron diffraction, vanadium

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