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arXiv:cond-mat/0601494 · Physical Review B

Thermodynamic properties of ferrimagnetic spin chains in the presence of a magnetic field

Jahanfar Abouie, S. Alireza Ghasemi, A. Langari

Published Jan 17, 2006• 8 citations
arXivHTMLPDF

Abstract

We have implemented three approaches to describe the thermodynamic properties of ferrimagnetic ($S=5∕2$, $s=2$) spin chains. The application of cumulant expansion has been generalized to the ferrimagnetic chain in the presence of an external magnetic field. Using cumulants, we have obtained the field-dependent effective Hamiltonian in terms of the classical variables up to the second order of quantum corrections. Thermodynamic functions, the internal energy, the specific heat, and the magnetic susceptibility are obtained from the effective Hamiltonian. We have also examined the modified spin-wave theory to derive the same physical properties. Finally, we have studied our model using quantum Monte Carlo simulation to obtain accurate results. The comparison of the above results and also the high temperature series expansion shows that cumulant expansion gives good results for moderate and high temperature regions while the modified spin wave theory is good for low temperatures. Moreover, the convergence regions of the cumulant expansion and the modified spin-wave theory overlap each other which propose these two as a set of complement methods to get the thermodynamic properties of spin models.

DOI
10.1103/physrevb.73.014411

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We have implemented three approaches to describe the thermodynamic properties of ferrimagnetic (S=5∕2S=5∕2S=5∕2, s=2s=2s=2) spin chains. The application of cumulant expansion has been generalized to the ferrimagnetic chain in the presence of an external magnetic field. Using cumulants, we have obtained the field-dependent effective Hamiltonian in terms of the classical variables up to the second order of quantum corrections. Thermodynamic functions, the internal energy, the specific heat, and the magnetic susceptibility are obtained from the effective Hamiltonian. We have also examined the modified spin-wave theory to derive the same physical properties. Finally, we have studied our model using quantum Monte Carlo simulation to obtain accurate results. The comparison of the above results and also the high temperature series expansion shows that cumulant expansion gives good results for moderate and high temperature regions while the modified spin wave theory is good for low temperatures. Moreover, the convergence regions of the cumulant expansion and the modified spin-wave theory overlap each other which propose these two as a set of complement methods to get the thermodynamic properties of spin models.
Quantum phase transitions in alternating spin-(12\frac{1}{2}21​, 52\frac{5}{2}25​) Heisenberg chains
The ground state spin-wave excitations and thermodynamic properties of two types of ferrimagnetic chains are investigated: the alternating spin-1/2 spin-5/2 chain and a similar chain with a spin-1/2 pendant attached to the spin-5/2 site. Results for magnetic susceptibility, magnetization and specific heat are obtained through the finite-temperature Lanczos method with the aim of describing the available experimental data, as well as comparison with theoretical results from the semiclassical approximation and the low-temperature susceptibility expansion derived from Takahashi's modified spin-wave theory. In particular, we study in detail the temperature versus magnetic field phase diagram of the spin-1/2 spin-5/2 chain, in which several low-temperature quantum phases are identified: the Luttinger liquid phase, the ferrimagnetic plateau and the fully polarized phase, and the respective quantum critical points and crossover lines.
We investigate the thermodynamic properties of Heisenberg ferrimagnetic mixed-spin chains both numerically and analytically with particular emphasis on the combination of ferromagnetic and antiferromagnetic features. Employing a new density-matrix renormalization-group technique as well as a quantum Monte Carlo method, we reveal the overall thermal behaviour: at very low temperatures, the specific heat and the magnetic susceptibility multiplied by the temperature behave like and , respectively, whereas at intermediate temperatures, they exhibit a Schottky-like peak and a minimum, respectively. Developing the modified spin-wave theory, we complement the numerical findings and give precise estimates for the low-temperature behaviour.
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.
The low-energy structures of the quantum ferrimagnetic Heisenberg chain consisting of (5/2, 1/2, 1/2) trimers are investigated theoretically. The results of the linear spin-wave theory are compared with those from the numerical exact diagonalization calculation and the matrix product method for the lowest optical mode. The temperature behaviour of thermodynamical properties such as magnetic susceptibility, specific heat and entropy are analysed in the framework of the modified spin-wave theory. The results of the calculations are used to explain the experimental data obtained for the molecule-based heterospin magnets [Mn(hfac) 2 BNO R ] (R = H, F, Cl, Br) with one-dimensional chain structure.
The thermodynamics of low-dimensional spin-12\frac{1}{2}21​ Heisenberg ferromagnets (HFMs) in an external magnetic field is investigated within a second-order two-time Green function formalism in the wide temperature and field ranges. A crucial point of the proposed scheme is a proper account of the analytical properties for the approximate transverse commutator Green function obtained as a result of the decoupling procedure. A good quantitative description of the correlation functions, magnetization, susceptibility, and heat capacity of the HFMs on a chain and square and triangular lattices is found for both infinite- and finite-sized systems. The dependences of the thermodynamic functions of two-dimensional HFMs on the cluster size are studied. The obtained results agree well with the corresponding data found by Bethe ansatz, exact diagonalization, high temperature series expansions, and quantum Monte Carlo simulations.
By using the Villain transformation, the Heisenberg ferrimagnetic spin chain is calculated. Two branches of the low-lying excitation in both the absence and presence of magnetic field are obtained. The thermodynamic quantities (such as free energy, magnetization, specific heat and static magnetic susceptibility) are also evaluated at finite temperature. This is the first time to calculate the Ferrimagnetic spin chain by using Villain's method, and we find that the results at a low temperature are quite similar to the previous calculation. The results of free energy and magnetization in zero temperature suggest that the Villain transformation has a good efficiency.