Eighth-order high-temperature expansion for general Heisenberg Hamiltonians

TL;DR

This paper develops a general method to compute eighth-order high-temperature series for Heisenberg Hamiltonians, enabling analysis of complex magnetic systems and comparison with experimental data.

Contribution

The authors introduce a new systematic approach to calculate high-temperature expansion coefficients up to eighth order for arbitrary Heisenberg models, including a novel evaluation method.

Findings

The method accurately describes susceptibility maxima in spin-$s$ Heisenberg antiferromagnets.

Application to magnetic molecules and frustrated lattices demonstrates the approach's versatility.

Results agree with other methods, validating the high-temperature series expansion as a reliable tool.

Abstract

We explicitly calculate the moments $t_n$ of general Heisenberg Hamiltonians up to eighth order. They have the form of finite sums of products of two factors. The first factor is represented by a (multi-)graph which has to be evaluated for each particular system under consideration. The second factors are well-known universal polynomials in the variable $s(s+1)$, where $s$ denotes the individual spin quantum number. From these moments we determine the corresponding coefficients of the high-temperature expansion of the free energy and the zero field susceptibility by a new method. These coefficients can be written in a form which makes explicit their extensive character. Our results represent a general tool to calculate eighth-order high-temperature series for arbitrary Heisenberg models. The results are applied to concrete systems, namely to magnetic molecules with the geometry of the icosidodecahedron, to frustrated square lattices, and to the pyrochlore magnets. By comparison with other methods that have been recently applied to these systems, we find that the typical susceptibility maximum of the spin-$s$ Heisenberg antiferromagnet is well described by the eighth-order high-temperature series.