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arXiv:1407.0949 · Physical Review Letters

Spin Susceptibility of Quantum Magnets from High to Low Temperatures

B. Bernu, C. Lhuillier

Published Feb 4, 2015• 38 citations
arXivHTMLPDF

Abstract

We explain how and why all thermodynamic properties of spin systems can be computed in one and two dimensions in the whole range of temperatures overcoming the divergence towards zero temperature of the standard high-temperature series expansions (HTEs). The method relies on an approximation of the entropy versus energy (microcanonical potential function) on the whole range of energies. The success is related to the intrinsic physical constraints on the entropy function and a careful treatment of the boundary behaviors. This method is benchmarked against two one-dimensional solvable models: the Ising model in longitudinal field and the XY model in a transverse field. With ten terms in the HTE, we find a spin susceptibility within a few percent of the exact results over the entire range of temperatures. The method is then applied to two two-dimensional models: the supposedly gapped Heisenberg model and the J(1)-J(2)-J(d) model on the kagome lattice.

DOI
10.1103/physrevlett.114.057201

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We explain how and why all thermodynamic properties of spin systems can be computed in one and two dimensions in the whole range of temperatures overcoming the divergence towards zero temperature of the standard high-temperature series expansions (HTEs). The method relies on an approximation of the entropy versus energy (microcanonical potential function) on the whole range of energies. The success is related to the intrinsic physical constraints on the entropy function and a careful treatment of the boundary behaviors. This method is benchmarked against two one-dimensional solvable models: the Ising model in longitudinal field and the XY model in a transverse field. With ten terms in the HTE, we find a spin susceptibility within a few percent of the exact results over the entire range of temperatures. The method is then applied to two two-dimensional models: the supposedly gapped Heisenberg model and the J(1)-J(2)-J(d) model on the kagome lattice.
The ground state and thermodynamic properties of spin-1 and spin- chains are investigated via exactly solved su (3) and su (4) models with physically motivated chemical potential terms. The analysis involves the thermodynamic Bethe ansatz and the high temperature expansion (HTE) methods. For the spin-1 chain with large single-ion anisotropy, a gapped phase occurs which is significantly different from the valence-bond-solid Haldane phase. The theoretical curves for the magnetization, susceptibility and specific heat are favourably compared with experimental data for a number of spin-1 chain compounds. For the spin- chain a degenerate gapped phase exists starting at zero external magnetic field. A middle magnetization plateau can be triggered by the single-ion anisotropy term. Overall, our results lend further weight to the applicability of integrable models to the physics of low-dimensional quantum spin systems. They also highlight the utility of the exact HTE method.
We have developed a method for evaluating the specific heat of lattice spin systems. It is based on the knowledge of high-temperature series expansions, the total entropy of the system, and the low-temperature expected behavior of the specific heat as well as the ground-state energy. By the choice of an appropriate variable (entropy as a function of energy), a stable interpolation scheme between low and high temperature is performed. Contrary to previous methods, the constraint that the total entropy is log(2S+1)\mathrm{log}(2S+1)log(2S+1) for a spin S on each site is automatically satisfied. We present some applications to quantum spin models on one- and two-dimensional lattices. Remarkably, in most cases, a good accuracy is obtained down to zero temperature.
A full description of the previously proposed method of calculating low temperature specific heat and susceptibility of quantum spin chains are given. By the use of internal energy as the expansion variable the domain of convergence of the high temperature series is remarkably extended. The low temperature properties are obtained by continuing it in a natural way to polynomials in internal energy, whose form is suggested by the spin wave theory. The method is checked in the S =1/2 XY model and is then applied to the Heisenberg model of S =1/2, 1, 3/2 and 2. The results are satisfactory in ferromagnets and reasonable in the S =1/2 antiferromagnet. In antiferromagnets of S ≧1 the results suggest inadequacy of our polynomial, which is, presumably, due to the existence of an energy gap.
Many frustrated spin models on three-dimensional (3D) lattices are currently being investigated, both experimentally and theoretically, and develop new types of long-range orders in their respective phase diagrams. They present finite-temperature phase transitions, most likely in the Heisenberg 3D universality class. However, the combination between the 3D character and frustration makes them hard to study. We present here several methods derived from high-temperature series expansions (HTSEs), which give exact coefficients directly in the thermodynamic limit up to a certain order; for several 3D lattices, supplementary orders than in previous literature are reported for the HTSEs. We introduce an interpolation method able to describe thermodynamic quantities at T>TcT>{T}_{c}T>Tc​, which we use here to reconstruct the magnetic susceptibility and the specific heat and to extract universal and nonuniversal quantities (for example, critical exponents, temperature, energy, entropy, and other parameters related to the phase transition). While the susceptibility associated with the order parameter is not usually known for more exotic long-range orders, the specific heat is indicative of a phase transition for any kind of symmetry breaking. We present examples of applications on ferromagnetic and antiferromagnetic models on various 3D lattices and benchmark our results whenever possible.
The Green's function formalism proposed by Kondo and Yamaji for low-dimensional spin systems with S =1/2 has been extended to the cases of S >1/2. We apply this formalism to the study of one- and two-dimensional Heisenberg ferromagnets over the whole temperature range. It is shown that our theory can reproduce the correct results obtained by the high-temperature expansion method. On the other hand, the results at low temperatures are similar to those of the modified spin-wave theory, which is considered to predict the low-temperature properties of such systems rather correctly. The gross behaviors of the calculated thermodynamic quantities of ferromagnetic Heisenberg chains agree with those obtained by the exact diagonalization method.
We investigate low- and high-temperature properties of the ferromagnetic Ising model of infinite-spin. By using the cummulant expansion methods, we obtain low-temperature expansions of the free energy, the specific heat, the spontaneous magnetization, the zero-field susceptibility and so on, and high-temperature expansions of the free energy and the zero-field susceptibility. We compare the results with those obtained by Thompson for the system on the one-dimensional lattice, with those by using Monte Carlo simulations for the systems on the square lattice and on the simple cubic lattice and with those with the aid of the mean-field approximation.