Neutron Scattering and Magnetic Observables for S = 1/2 Molecular Magnets
J.T.Haraldsen (1), T.Barnes (1, 2), J.L.Musfeldt (3) ((1), Department of Physics, Astronomy, University of Tennessee, (2) Physics, Division, Oak Ridge National Laboratory, (3) Department of Chemistry,, University of Tennessee)
TL;DR
This paper provides detailed theoretical calculations of magnetic properties and neutron scattering observables for small S=1/2 spin clusters, aiding interpretation of experimental data in molecular magnetism.
Contribution
It offers comprehensive energy spectra, thermodynamic, and neutron scattering results for finite S=1/2 spin clusters with various geometries and interactions, expanding the toolkit for analyzing molecular magnets.
Findings
Calculated energy eigenvalues and eigenvectors for spin clusters.
Provided specific heat and magnetic susceptibility data.
Presented neutron scattering structure factors for experimental comparison.
Abstract
In this paper we report results for magnetic observables of finite spin clusters composed of S=1/2 ions. We consider clusters of two, three and four spins in distinct spatial arrangements, with isotropic Heisenberg interactions of various strengths between ion pairs. In addition to the complete set of energy eigenvalues and eigenvectors, specific heat and magnetic susceptibility, we also quote results for the single crystal and powder average inelastic neutron scattering structure factors. Examples of the application of these results to experimental systems are also discussed.
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