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arXiv:1605.05167 · Physical review. B./Physical review. B

Evolution of thermodynamic properties and inelastic neutron scattering intensities for spin- 12 antiferromagnetic quantum rings

Jason T. Haraldsen

Published Aug 31, 2016• 10 citations
arXivHTMLPDF

Abstract

This study examines the increasing complexity in the magnetic properties of small $n=3,\phantom{\rule{0.16em}{0ex}}4,\phantom{\rule{0.16em}{0ex}}5,\phantom{\rule{0.16em}{0ex}}\mathrm{and}\phantom{\rule{0.16em}{0ex}}6$ spin-$\frac{1}{2}$ quantum rings. Using an exact diagonalization of the isotropic Heisenberg Hamiltonian with nearest and next-nearest neighbor interactions, the energy eigenstates, magnetic specific heat capacity, magnetic susceptibility, and inelastic neutron scattering structure factors are determined for variable next-nearest neighbor interactions. Here, it is shown that the presence of spin exchange symmetry breaking, multiple ground states, and nonzero total spin ground states can greatly complicate the energy eigenstates and excitations for these systems. Overall, the energy eigenstates and structure factor intensities are presented in closed form, while the thermodynamic properties detail the effect of a crossing interaction in the rings. The goal of this work is to provide insight into the evolution of the magnetic properties and spin excitations within these systems.

DOI
10.1103/physrevb.94.054436

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Accurate results are obtained for the low-temperature magnetization vs magnetic field of Heisenberg spin rings consisting of an even number NNN of intrinsic spins s=1∕2,1,3∕2,2,5∕2,3,7∕2s=1∕2,1,3∕2,2,5∕2,3,7∕2s=1∕2,1,3∕2,2,5∕2,3,7∕2 with nearest-neighbor antiferromagnetic exchange by employing a numerically exact quantum Monte Carlo method. A straightforward analysis of this data, in particular, the values of the level-crossing fields, provides accurate results for the lowest-energy eigenvalue EN(S,s){E}_{N}(S,s)EN​(S,s) for each value of the total spin quantum number SSS. In particular, the results are substantially more accurate than those provided by the rotational band approximation. For $s\ensuremath{\leqslant}5∕2$, data are presented for all even $N\ensuremath{\leqslant}20$, which are particularly relevant for experiments on finite magnetic rings. Furthermore, we find that for $s\ensuremath{\geqslant}3∕2$, the dependence of EN(S,s){E}_{N}(S,s)EN​(S,s) on sss can be described by a scaling relation, and this relation is shown to hold well for ring sizes up to N=80N=80N=80 for all intrinsic spins in the range $3∕2\ensuremath{\leqslant}s\ensuremath{\leqslant}7∕2$. Considering ring sizes in the interval $8\ensuremath{\leqslant}N\ensuremath{\leqslant}50$, we find that the energy gap between the ground state and the first excited state approaches zero proportional to $1∕{N}^{\ensuremath{\alpha}}$, where $\ensuremath{\alpha}\ensuremath{\approx}0.76$ for s=3∕2s=3∕2s=3∕2 and $\ensuremath{\alpha}\ensuremath{\approx}0.84$ for s=5∕2s=5∕2s=5∕2. Finally, we demonstrate the usefulness of our present results for EN(S,s){E}_{N}(S,s)EN​(S,s) by examining the Fe12{\mathrm{Fe}}_{12}Fe12​ ring-type magnetic molecule, leading to a more accurate estimate of the exchange constant for this system than has been obtained heretofore.
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