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Physical review. B, Condensed matter

Spontaneous staggered magnetization in antiferromagnetic Heisenberg-Ising chains

Juan Pablo Neirotti, Mário J. de Oliveira

Published Sep 1, 1996• 4 citations
Publisher

Abstract

We calculate numerically the spontaneous staggered magnetization and susceptibility of the ground state of quantum antiferromagnetic Heisenberg-Ising chains. We use a zero-temperature Monte Carlo method and consider the cases of spin 1 and 2. As a function of the anisotropy parameter, the magnetization vanishes continuously at a critical point whose critical exponents for both cases are found to be in agreement with those of the two-dimensional Ising model.

DOI
10.1103/physrevb.54.6351

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We calculate numerically the spontaneous staggered magnetization and susceptibility of the ground state of quantum antiferromagnetic Heisenberg-Ising chains. We use a zero-temperature Monte Carlo method and consider the cases of spin 1 and 2. As a function of the anisotropy parameter, the magnetization vanishes continuously at a critical point whose critical exponents for both cases are found to be in agreement with those of the two-dimensional Ising model.
The ground-state energy, staggered magnetization, and correlation function are computed for the two-dimensional spin-(1/2 quantum antiferromagnetic Heisenberg model (believed to be relevant to the high-temperature superconducting materials without doping) on lattices up to 24\ifmmode\times\else\texttimes\fi{}24 by Monte Carlo methods extrapolated to zero temperature. A more accurate value for the ground-state energy is determined by the method of Neumann and Ulam by extrapolating from lattices up to 12\ifmmode\times\else\texttimes\fi{}12.
A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by kB{\mathit{k}}_{\mathit{B}}kB​=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.
Effects of an uniaxial single-ion anisotropy tsumi{\mathit{tsum}}_{\mathit{i}}tsumi​Dz{\mathit{D}}_{\mathit{z}}Dz​(Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​)2{)}^{2})2 on the magnetic properties of an S=1 antiferromagnetic Heisenberg chain with open boundaries are studied by a quantum Monte Carlo method. In the ground stae, how the anisotropy affects the staggered magnetization 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 and the spin correlation functions 〈S1z{\mathit{S}}_{1}^{\mathit{z}}S1z​Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 and 〈S1x{\mathit{S}}_{1}^{\mathit{x}}S1x​Six{\mathit{S}}_{\mathit{i}}^{\mathit{x}}Six​〉 is investigated. Amplitudes of 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 decrease with with increase of Dz{\mathit{D}}_{\mathit{z}}Dz​. The correlation length ${\ensuremath{\xi}}_{\mathit{S}\mathit{S}}^{\mathit{z}}$ of 〈S1z{\mathit{S}}_{1}^{\mathit{z}}S1z​Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 monotonously decreases with increase of Dz{\mathit{D}}_{\mathit{z}}Dz​, while the correlation length ${\ensuremath{\xi}}_{\mathit{S}\mathit{S}}^{\mathit{x}}$ of 〈S1x{\mathit{S}}_{1}^{\mathit{x}}S1x​Six{\mathit{S}}_{\mathit{i}}^{\mathit{x}}Six​〉 has the opposite but weak Dz{\mathit{D}}_{\mathit{z}}Dz​ dependence. The fourfold degeneracy of the ground state also holds with nonzero Dz{\mathit{D}}_{\mathit{z}}Dz​'s in the thermodynamic limit although it is lifted up in finite chains. At finite temperatures, the magnetic susceptibilities along the z axis (${\mathrm{\ensuremath{\chi}}}^{\mathit{z}}$) and the x axis (${\mathrm{\ensuremath{\chi}}}^{\mathit{x}}$) are calculated. Temperature dependences of the bulk susceptibilites, ${\mathrm{\ensuremath{\chi}}}_{\mathrm{\ensuremath{\infty}}}^{\mathit{z}}$ and ${\mathrm{\ensuremath{\chi}}}_{\mathrm{\ensuremath{\infty}}}^{\mathit{x}}$, are consistent with the previous experimental result on Ni(C2{\mathrm{C}}_{2}C2​H8{\mathrm{H}}_{8}H8​N2{\mathrm{N}}_{2}N2​)2{)}_{2})2​NO2{\mathrm{NO}}_{2}NO2​ClO4{\mathrm{ClO}}_{4}ClO4​ (NENP). Finite-size corrections, ${\mathrm{\ensuremath{\chi}}}_{0}^{\mathit{z}}$ and ${\mathrm{\ensuremath{\chi}}}_{0}^{\mathit{x}}$, and the Curie susceptibilities resulting from chain ends, ${\mathrm{\ensuremath{\chi}}}_{\mathit{C}}^{\mathit{z}}$ and ${\mathrm{\ensuremath{\chi}}}_{\mathit{C}}^{\mathit{x}}$, are also investigated in detail. Both ${\mathrm{\ensuremath{\chi}}}_{0}$ and ${\mathrm{\ensuremath{\chi}}}_{\mathit{C}}$ diverge as temperature goes to zero and they are combined through a relation ${\mathrm{\ensuremath{\chi}}}_{\mathit{C}}$=${\mathrm{\ensuremath{\chi}}}_{0}$+${\mathrm{\ensuremath{\chi}}}_{\mathrm{\ensuremath{\infty}}}$. Temperature dependences of ${\mathrm{\ensuremath{\chi}}}_{\mathit{C}}$ are dominated by the edge effect at low temperatures, while at high temperatures they are attributed to an S=1 free spin.
The ground-state properties of the quasi-one-dimensional spin-1/21/21/2 antiferromagnetic Heisenberg model is investigated by using a variational method. Spins on chains along the xxx direction are antiferromagnetically coupled with exchange J>0J>0J>0, while spins between chains in the yyy direction are coupled either ferromagnetically (${J}^{\ensuremath{'}}<0$) or antiferromagnetically (${J}^{\ensuremath{'}}>0$). The staggered and the colinear antiferromagnetic magnetizations are computed and their dependence on the anisotropy parameter $\ensuremath{\lambda}=|{J}^{\ensuremath{'}}|/J$ is analyzed. It is found that an infinitesimal interchain coupling parameter is sufficient to stabilize a long-range order with either a staggered magnetization ms{m}_{s}ms​ (${J}^{\ensuremath{'}}>0$) or a colinear antiferromagnetic magnetization mcaf{m}_{caf}mcaf​ (${J}^{\ensuremath{'}}<0$), both behaving as $\ensuremath{\simeq}{\ensuremath{\lambda}}^{1/2}$ for $\ensuremath{\lambda}\ensuremath{\rightarrow}0$.
We present a systematic study of the anisotropic spin-1/2 Heisenberg model in staggered magnetic fields in two dimensions. To mimic real materials, we consider a system of coupled, antiferromagnetic chains, whose interchain interaction can be either ferro- or antiferromagnetic. When the staggered field is commensurate with the magnetic interactions, an energy gap opens immediately and follows a power law as a function of the applied field, similar to the situation in one dimension. When the field competes with the interactions, a quantum phase transition (QPT) occurs from a gapless, magnetically ordered phase at low fields to a gapped, disordered regime. We use a continuous-time Monte Carlo method to compute the staggered moment of the ordered phases and the spin gap of the disordered phases. We deduce the phase diagrams as functions of the anisotropy ratio and the applied field, and calculate the scaling behavior of the models in both quantities. We show that in the competitive case, the staggered field acts to maintain a regime of quasi-1D behavior around the QPT, and we discuss as a consequence the nature of the crossover from one-dimensional (1D) to 2D physics.
The properties of spin-1/2 antiferromagnetic chains with various types of random exchange coupling are studied via an asymptotically exact decimation renormalization-group transformation, which is a generalization of that introduced by Dasgupta and Ma. Random-singlet phases occur in which each spin is paired with one other spin that may be very far away; more exotic phases also occur. The behavior of typical and mean correlation functions is analyzed and found to be very different, with very small sets of spins dominating the latter at long distances as well as the low-temperature thermodynamics. Some of the phase transitions that occur between antiferromagnetically ordered phases and random singlet or other antiferromagnetic phases are also analyzed. For example, if a small uniaxial anisotropy perturbation is added to a random Heisenberg antiferromagnetic chain, a transition occurs from a random-singlet phase to an Ising antiferromagnetic phase, as the anisotropy changes sign from easy plane to easy axis. The staggered magnetization vanishes at the transition with critical exponent \ensuremath{\beta}=8/(1+ \ensuremath{\surd}7 ). Possible implications for the properties of random quantum magnetic systems in higher dimensions are briefly discussed.