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Physical review. B, Condensed matter

Temperature-dependent Hartree-Fock theory of the impure spin-½ Ising-Heisenberg chain

Gennady Sh. Gildenblat

Published Dec 1, 1984• 2 citations
Publisher

Abstract

Hartree-Fock equations for the impure spin-\textonehalf{} Ising-Heisenberg chain are derived by using the Green-function technique in the pseudofermion representation. The self-consistency equations for the ideal spin-\textonehalf{} anisotropic Heisenberg antiferromagnet can be recovered as a specific case of the general formalism developed in the present work. In the case of the nonideal $\mathrm{XXZ}$ chain, a numerical solution of the self-consistency equations is used to describe the Friedel-type boundary on impurity-induced oscillations of the local magnetization considered previously in the spin-\textonehalf{}$\mathrm{XY}$ model.

DOI
10.1103/physrevb.30.6529

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arXiv:2109.00777•Physical review. B./Physical review. B•Dec 6, 2021•0 citations
Hartree-Fock equations for the impure spin-\textonehalf{} Ising-Heisenberg chain are derived by using the Green-function technique in the pseudofermion representation. The self-consistency equations for the ideal spin-\textonehalf{} anisotropic Heisenberg antiferromagnet can be recovered as a specific case of the general formalism developed in the present work. In the case of the nonideal XXZ\mathrm{XXZ}XXZ chain, a numerical solution of the self-consistency equations is used to describe the Friedel-type boundary on impurity-induced oscillations of the local magnetization considered previously in the spin-\textonehalf{}XY\mathrm{XY}XY model.
The one-dimensional spin-1 Heisenberg antiferromagnetic chains are studied by a generalized two-time Green's-function method at finite temperature. 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 is set to zero at each site to guarantee the lack of the long-range order in the one-dimensional Heisenberg system. The Green's functions are decoupled in terms of the correlation functions of spin operators. A set of self-consistent equations of the correlation functions are derived and solved numerically. Correlation functions of spin operators, thermodynamic properties such as the internal energy, and specific heat in the entire temperature region are obtained. The Haldane gap in the excitation spectrum appears naturally in the analytical result. When k is zero, there is a gap 2\ensuremath{\Delta}, which is 1.0J and close to the theoretical result of White and Huse. And there is a broad maximum in the temperature dependence of the specific heat. The properties of the thermodynamic quantities are consistent with the numerical results on the finite chains. \textcopyright{} 1996 The American Physical Society.
The one-dimensional Heisenberg model with S = 1/2 is treated with the use of the two-time Green's functions. The hierarchy of the equations of motion of the Green'f functions is decoupled at a stage one-step further than Tyablikov's decoupling. The thermal average of the spin component, ≪ Sz >, is set to zero, becaure the long-range order does not exist in one dimension. Instead, our Green's functions are expressed in terms of the correlation functions cn ≡4≪ S0zSnz >. The Green's function is essentially of the form representing undamped spin waves, whose spactrum depends on c1, c2 and one more parameter. They are determined by the requirement that c1 and c2 should be self-consistent and that c0 should be unity. The self-consistency equations have been solved analytically at high- and low-temperature limits, and also solved numerically in the whole range of the temperature. Thermodynamic quantities have been calculated using these solutions. It has turned out that the theory gives the correct high-temperature expansion for the thermodynamic quantities and the correlation functions. The latter is expressed by cn = (J / 4 kBT )n. In the case of ferromagnetic coupling, the correlation function cn at T = 0 is equal to 1/3 for all n's. This is what is expected from the correct ground state of the ferromagnetic Heisenberg system. The spin-wave spectrum at T = 0 also agrees with the correct one. At T ≪J/ kB, we find that the specific heat goes as T1/2 and the susceptibility goes as T-2. The gross feature of the temperature-dependence of the thermodynamic quantities agrees with Bonner and Fisher. In the case of the antiferromagnetic Heisenberg model, we find c1 = -0.55407 and c2 = 0.16100 at T = 0, which are fairly close to the exact values. The thermodynamic quantities are also in gross agreement with Bonner and Fisher.
The one-dimensional spin-1/2 Ising-Heisenberg ferromagnets are studied by the Green's function method at finite temperatures. The Green's function is decoupled in terms of the correlation functions of 〈S0z{\mathit{S}}_{0}^{\mathit{z}}S0z​Snz{\mathit{S}}_{\mathit{n}}^{\mathit{z}}Snz​〉 and 〈S0+{\mathit{S}}_{0}^{+}S0+​${\mathit{S}}_{\mathit{n}}^{\mathrm{\ensuremath{-}}}$〉 under the constraint of 〈Sz{\mathit{S}}^{\mathit{z}}Sz〉=0, from which a set of self-consistent equations are derived and solved numerically. The thermodynamic properties such as internal energy, specific heat, and zero-field parallel susceptibility are calculated. Our results predict the correct behavior for the correlation functions and thermodynamic quantities in the entire temperature region, in agreement both with the exact numerical results on the finite chain and the experimental data.
The numerical solution of the Bethe ansatz equations of an integrable SU(2)-invariant generalization of the spin-S antiferromagnetic Heisenberg chain (Takhtajian-Babujian model) with a spin-S' impurity in zero magnetic field is presented. The entropy, specific heat and susceptibility of an impurity of spin S' are obtained numerically as a function of the spin S of the chain. Three situations have to be distinguished: (i) if S'=S the impurity just corresponds to one more site in the chain; (ii) if S'>S the impurity spin is only partially compensated (undercompensated) at T=0, leaving an effective spin of (S'-S); (iii) if S'
We construct an integrable SU(2)-invariant model consisting of the Heisenberg chain of spin 1 interacting with an impurity of spin S. This generalizes previous results by Andrei and Johannesson for the spin-(1/2 chain. The model Hamiltonian is diagonalized and the thermodynamics is obtained. For ferromagnetic coupling at low temperatures the impurity susceptibility diverges as ${T}^{\mathrm{\ensuremath{-}}2}$ and the impurity specific heat is proportional to T1/2{T}^{1/2}T1/2 for all values of the impurity spin S. For antiferromagnetic coupling and T=0 the impurity susceptibility diverges proportionally to \ensuremath{\Vert}lnH\ensuremath{\Vert} as H\ensuremath{\rightarrow}0 if S=(1/2, while if S>1 the impurity spin is only partially compensated for by the S=1 chain.
We study the effect of anisotropy of spin-SSS impurities on an antiferromagnetic SU(2) Heisenberg chain. The magnetic impurities are assumed to have an XXZ-type anisotropic exchange with their neighboring sites. First, using density-matrix renormalization group technique, we examine spin-spin correlation function, instability of N\'eel order, and local spin susceptibility in the presence of a single spin-SSS impurity. Based on the results, we find that the types of spin-SSS impurities are classified into two groups: (i) nonmagnetic and S=1S=1S=1 impurities enhance only short-range antiferromagnetic correlation and (ii) S=12S=\frac{1}{2}S=21​ and S>1S>1S>1 impurities can, in contrast, stabilize a long-range N\'eel order in the disordered SU(2) Heisenberg chain. Then, we focus on the case of S=12S=\frac{1}{2}S=21​ impurity as a representative of (ii) and investigate the evolution of some experimentally observable quantities such as magnetization, specific heat, and magnetic susceptibility, as a function of concentration and XXZ anisotropy strength of the impurity. We confirm that the N\'eel order is induced in the bulk spin chain in the presence of finite amount of easy-axis XXZ S=12S=\frac{1}{2}S=21​ impurities. Furthermore, we recover some of the aforementioned features using cluster mean-field theory, which allows us to present results on experimentally accessible quantities at finite temperatures. Interestingly, in the presence of uniform magnetic field, the total magnetization exhibits a pseudogap behavior for low values of applied field. We also discuss the dependence of NMR spectrum on various XXZ impurities and identify that the spin state of Co impurity in SrCu0.99Co0.01O2{\mathrm{SrCu}}_{0.99}{\mathrm{Co}}_{0.01}{\mathrm{O}}_{2}SrCu0.99​Co0.01​O2​ is S=32S=\frac{3}{2}S=23​.