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Physical Review B

Finite-temperature entanglement for low-dimensional quantum spin chains

Zhao‐Yu Sun, K.L. Yao, Wei Yao, Zhang De-hua, Zuli Liu

Published Jan 14, 2008• 18 citations
Publisher

Abstract

Based on transfer-matrix density matrix renormalization group (TMRG) method, a general procedure to calculate the finite-temperature pairwise entanglement of low-dimensional quantum chains is proposed. The reduced pairwise density matrix is reconstructed with TMRG, and measures of quantum entanglement can be calculated from the pairwise density matrix. The finite-temperature entanglement of the diamond chain model and the spin trimerized model, which are two typical models revealing $1∕3$ plateaus in the magnetization curves, is calculated. For the diamond chain model, the anisotropy coefficient $\ensuremath{\Delta}$ is found to have a great effect on the appearance of the magnetization plateau, and the plateau disappears when $\ensuremath{\Delta}=0.5$. Moreover, our results show that the pairwise entanglement can provide information complementary to that obtained from bulk properties. For the trimerized model, the temperature dependence of the pairwise entanglement is calculated, and the threshold temperature ${T}_{c}$, above which the thermal entanglement vanishes, is found to be independent of the external magnetic field $B$. In addition, the scaling behavior of the thermal entanglement is calculated in the Trotter space. With the augmentation of the system in the Trotter direction, we find that the low-temperature entanglement shows obvious variation in the vicinity of quantum phase transition (QPT) point ${B}_{c}$ and converges fast in noncritical regions, which provides another way to identify QPT of one-dimensional quantum systems.

DOI
10.1103/physrevb.77.014416

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Based on transfer-matrix density matrix renormalization group (TMRG) method, a general procedure to calculate the finite-temperature pairwise entanglement of low-dimensional quantum chains is proposed. The reduced pairwise density matrix is reconstructed with TMRG, and measures of quantum entanglement can be calculated from the pairwise density matrix. The finite-temperature entanglement of the diamond chain model and the spin trimerized model, which are two typical models revealing 1∕31∕31∕3 plateaus in the magnetization curves, is calculated. For the diamond chain model, the anisotropy coefficient \ensuremathΔ\ensuremath{\Delta}\ensuremathΔ is found to have a great effect on the appearance of the magnetization plateau, and the plateau disappears when \ensuremathΔ=0.5\ensuremath{\Delta}=0.5\ensuremathΔ=0.5. Moreover, our results show that the pairwise entanglement can provide information complementary to that obtained from bulk properties. For the trimerized model, the temperature dependence of the pairwise entanglement is calculated, and the threshold temperature Tc{T}_{c}Tc​, above which the thermal entanglement vanishes, is found to be independent of the external magnetic field BBB. In addition, the scaling behavior of the thermal entanglement is calculated in the Trotter space. With the augmentation of the system in the Trotter direction, we find that the low-temperature entanglement shows obvious variation in the vicinity of quantum phase transition (QPT) point Bc{B}_{c}Bc​ and converges fast in noncritical regions, which provides another way to identify QPT of one-dimensional quantum systems.
The thermal pairwise entanglement (TE) of the S=1/2S=1/2S=1/2 XYXYXY chain in a transverse magnetic field is exactly resolved by means of the Jordan-Wigner transformation in the thermodynamic limit $N\ensuremath{\rightarrow}\ensuremath{\infty}$. It is found that the TE vanishes at a fixed point with temperature ${T}_{c}\ensuremath{\simeq}0.484\text{ }3J$, which is independent of the magnetic field. A thermal quantity is proposed to witness the entangled state. Furthermore, the TE of the S=1/2S=1/2S=1/2 antiferromagnetic-ferromagnetic (AF-F) Heisenberg chain is studied by the transfer-matrix renormalization-group method. The TEs of the spins coupled by AF and F interactions are found to behave distinctively. The vanishing temperature of the field-induced TE of the spins coupled by F interactions is observed dependent on the magnetic field. The results are further confirmed and analyzed within a mean-field framework.
Quantum entanglement is one of the most fascinating types of correlation that can be shared only among quantum systems. The Heisenberg chain is one of the simplest quantum chains which exhibits a reach entanglement feature, due to the Heisenberg interaction is quantum coupling in the spin system. The two particles were coupled trough XYZ coupling or simply called as two-qubit XYZ spin, which are the responsible for the emergence of thermal entanglement. These two-qubit operators are bonded to two nodal Ising spins, and this process is repeated infinitely resulting in a diamond chain structure. We will discuss two-qubit thermal entanglement effect on Ising-XYZ diamond chain structure. The concurrence could be obtained straightforwardly in terms of two-qubit density operator elements, using this result, we study the thermal entanglement, as well as the threshold temperature where entangled state vanishes. The present model displays a quite unusual concurrence behavior, such as, the boundary of two entangled regions becomes a disentangled region, this is intrinsically related to the XY-anisotropy in the Heisenberg coupling. Despite a similar property had been found for only two-qubit, here we show in the case of a diamond chain structure, which reasonably represents real materials.
The density matrix renormalization group (DMRG) is a numerical method for studying low dimensional strongly correlated models. The study of these models is one of the most active areas of condensed matter physics today and has been spurred not only by the discovery of high temperature superconductivity but also by experiments on new compounds. In this thesis we study fundamentals of the density matrix renormalization group method as well as applications of the method to Heisenberg spin chains. The introductory text is meant as a brief overview of the DMRG as well as Heisenberg spin systems and provides an introduction to the papers. In papers I and II we investigate the density matrix renormalization group with the aim to better understand the underlying structure of the method. We find that if the renormalization converges to a fixed point in the thermodynamic limit, the resulting basis states can be written as a matrix product form. We also show an explicit relation of the DMRG to variational calculations using the fact that the matrix product states can be rederived through a variational ansatz without any reference to the DMRG calculation. It is then shown how the matrix product states can be used to define a set of Bloch waves for describing elementary excitations of the Heisenberg spin-1 chain. The low lying energy spectrum is calculated. In papers III and IV we investigate the thermodynamics of impurities in a spin-1/2 chain. For this purpose we have shown that a recently developed transfer matrix DMRG method can be used to calculate impurity properties. Both impurity corrections to thermodynamic properties and local properties at finite temperature can be obtained. The method gives quicker and more accurate results than quantum Monte Carlo. The numerical results show good agreement with field theory calculations for a number of impurity configurations and the cross-over function for the magnetic susceptibility from high- to low-temperature behavior shows the expected data collapse. Our results also give quantitative predictions for experiments on doped spin-1/2 chains.
The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the quantum system is mapped onto a two-dimensional classical system by a Trotter-Suzuki decomposition. Here we discuss two different mappings: The standard mapping onto a two-dimensional lattice with checkerboard structure as well as an alternative mapping introduced by two of us. For the classical system an appropriate quantum transfer matrix is defined which is then treated using a DMRG scheme. As applications, the calculation of thermodynamic properties for a spin-1/2 Heisenberg chain in a staggered magnetic field and the calculation of boundary contributions for open spin chains are discussed. Finally, we show how to obtain real time dynamics from a classical system with complex Boltzmann weights and present results for the autocorrelation function of the XXZ-chain.
The magnetic and thermodynamic properties of spin-1∕21∕21∕2 Heisenberg diamond chains are investigated in three different cases: (a) J1{J}_{1}J1​, J2{J}_{2}J2​, J3>0{J}_{3}>0J3​>0 (frustrated), (b) J1{J}_{1}J1​, J3<0{J}_{3}<0J3​<0, J2>0{J}_{2}>0J2​>0 (frustrated), and (c) J1{J}_{1}J1​, J2>0{J}_{2}>0J2​>0, J3<0{J}_{3}<0J3​<0 (nonfrustrated), where the bond coupling Ji{J}_{i}Ji​ (i=1,2,3)>0(i=1,2,3)>0(i=1,2,3)>0 stands for an antiferromagnetic (AF) interaction, and <0<0<0 for a ferromagnetic (F) interaction. The density-matrix renormalization-group (DMRG) technique is invoked to study the properties of the system in the ground state, while the transfer-matrix renormalization-group (TMRG) technique is applied to explore the thermodynamic properties. The local magnetic moments, spin-correlation functions, and static structure factors are discussed in the ground state for the three cases. It is shown that the static structure factor S(q)S(q)S(q) shows peaks at wave vectors $q=a\ensuremath{\pi}∕3$ (a=0,1,2,3,4,5)(a=0,1,2,3,4,5)(a=0,1,2,3,4,5) for different couplings in a zero magnetic field, which, however, in the magnetic fields where the magnetization plateau with m=1∕6m=1∕6m=1∕6 pertains, exhibits the peaks only at q=0q=0q=0, $2\ensuremath{\pi}∕3$, and $4\ensuremath{\pi}∕3$, which are found to be couplings independent. The DMRG results of the zero-field static structure factor can be nicely fitted by a linear superposition of six modes, where two fitting equations are proposed. It is observed that the six modes are closely related to the low-lying excitations of the system. At finite temperatures, the magnetization, susceptibility, and specific heat show various behaviors for different couplings. The double-peak structures of the susceptibility, and specific heat against temperature are obtained, where the peak positions and heights are found to depend on the competition of the couplings. It is also uncovered that the XXZXXZXXZ anisotropy of F and AF couplings leads the system of case (c) to display quite different behaviors. In addition, the experimental data of the susceptibility, specific heat, and magnetization for the compound Cu3(CO3)2(OH)2{\mathrm{Cu}}_{3}{(\mathrm{C}{\mathrm{O}}_{3})}_{2}{(\mathrm{O}\mathrm{H})}_{2}Cu3​(CO3​)2​(OH)2​ are fairly compared with our TMRG results.
Quantum spin-1/2 antiferromagnetic Heisenberg trimerized chain with strong intradimer and weak monomer-dimer coupling constants is studied using the many-body perturbation expansion developed about the exact solution of the spin-1/2 Ising-Heisenberg diamond chain. The Heisenberg trimerized chain shows the intermediate one-third plateau, which was also observed in the magnetization curve of the polymeric compound Cu3_33​(P2_22​O6_66​OH)2_22​ affording its experimental realization. Within the strong-coupling method we have obtained the effective Hamiltonians for the magnetic-field range from zero to one-third plateau, and from one-third plateau to the saturation magnetization. The second-order perturbation theory shows reliable results even for the moderate ratio between weaker dimer-monomer and stronger intradimer coupling constants. We have also examined thermodynamic properties and recovered the low-temperature peak in the specific heat. The accuracy of the developed method is tested through a comparison with numerical density-matrix renormalization group and quantum Monte Carlo simulations. Using the results for the effective Hamiltonian we suggest straightforward procedure for finding the microscopic parameters of one-dimensional trimerized magnetic compounds with strong intradimer and weak monomer-dimer couplings. We found the refined values for the coupling constants of Cu3_33​(P2_22​O6_66​OH)2_22​ by matching the theoretical results with the available experimental data for the magnetization and magnetic susceptibility in a wide range of temperatures and magnetic fields.