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Physical review. B, Condensed matter

Transverse susceptibility of the one-dimensional antiferromagnetic XY model. Application to Cs2 Co Cl4

Philip M. Duxbury, J. Oitmaa, Michael N. Barber, Andries van der Bilt, Kyong O. Joung, Richard L. Carlin

Published Nov 1, 1981• 58 citations
Publisher

Abstract

The transverse susceptibility of the one-dimensional antiferromagnetic $\mathrm{XY}$ model is calculated for a sequence of finite chains with periodic boundary conditions. The infinite-chain susceptibility is obtained by extrapolation, and good convergence is found for most temperatures. The results are compared with the $c$-axis susceptibility of ${\mathrm{Cs}}_{2}$Co${\mathrm{Cl}}_{4}$, which has been measured over the temperature interval 40 mK-4.2 K. The agreement is excellent, confirming that this compound can be well approximated by a set of weakly coupled antiferromagnetic $\mathrm{XY}$ chains.

DOI
10.1103/physrevb.24.5149

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The transverse susceptibility of the one-dimensional antiferromagnetic XY\mathrm{XY}XY model is calculated for a sequence of finite chains with periodic boundary conditions. The infinite-chain susceptibility is obtained by extrapolation, and good convergence is found for most temperatures. The results are compared with the ccc-axis susceptibility of Cs2{\mathrm{Cs}}_{2}Cs2​CoCl4{\mathrm{Cl}}_{4}Cl4​, which has been measured over the temperature interval 40 mK-4.2 K. The agreement is excellent, confirming that this compound can be well approximated by a set of weakly coupled antiferromagnetic XY\mathrm{XY}XY chains.
We calculate precise numerical values for the nondivergent direct or staggered zero-temperature susceptibilities of the one-dimensional, S=12S=\frac{1}{2}S=21​, transverse Ising model at the critical field and for the isotropic XY\mathrm{XY}XY model in zero field which have not been previously determined analytically. Our method is based on a rigorous approach to calculate dynamic correlation functions for these models. We also investigate the exact nature of the divergenices in the qqq-dependent susceptibilities. Our results are compared with existing predictions of approximate analytic approaches and numerical finite-chain calculations. Our result for the XY\mathrm{XY}XY case is directly relevant for the interpretation of recent susceptibility measurements on the quasi-one-dimensional magnetic compound Cs2{\mathrm{Cs}}_{2}Cs2​CoCl4{\mathrm{CoCl}}_{4}CoCl4​.
Magnetic susceptibility is measured on the one-dimensional spin 1/2 antiferromagnets Sr2CuO3{\mathrm{Sr}}_{2}{\mathrm{CuO}}_{3}Sr2​CuO3​ and SrCuO2\mathrm{Sr}{\mathrm{CuO}}_{2}SrCuO2​ using single crystals. Large, nearly contamination-free single crystals enable us to measure the intrinsic spin susceptibility over a wide temperature range between 5 and 800 K. The results are in excellent agreement with the recent calculation by Eggert, Affleck, and Takahashi, and the exchange interaction energy JJJ is estimated to be $2200\ifmmode\pm\else\textpm\fi{}200$ and $2100\ifmmode\pm\else\textpm\fi{}200\mathrm{K}$, respectively. In Sr2CuO3{\mathrm{Sr}}_{2}{\mathrm{CuO}}_{3}Sr2​CuO3​, an isotropic susceptibility drop is observed below about 20 K, which is also consistent with the result of this rigorous calculation.
By the numerical transfer-matrix method we have computed several thermal properties for a Heisenberg chain of 150 antiferromagnetically coupled spins with quantum number s = 1. We dispensed with any extrapolation to the infinite chain, because the results for the magnetization, the susceptibility, the correlation length, and the static structure factor at wave number q = π have been found to be insensitive to a further increase of the chain length in the temperature regime considered. The characteristic features of our results, that occur at sufficiently low temperatures and low applied fields, can convincingly be explained by the existence of a gap in the excitation spectrum of the order of 0.4 coupling constants and, therefore, nicely complement previous numerical results for corresponding ground-state properties. We have also performed computations for a chain with an additional single-site anisotropy. We find, for appropriate parameter values, excellent agreement with experimental data for the quasi-one-dimensional model compound NENP.
The specific heat and magnetic susceptibility of the antiferromagnetic Heisenberg chain have been calculated using a numerical finite-size technique. An agreement with experiment for the quasi-one-dimensional compound CsNiCl3{\mathrm{CsNiCl}}_{3}CsNiCl3​, which displays a Haldane gap, is revealed.
A one-dimensional S=1 Heisenberg antiferromagnet in a magnetic field H (\ensuremath{\parallel}z axis) at T=0 is studied by numerical diagonalizations up to N=16. We give the magnetization curve at the thermodynamic limit, and derive an anomaly at Hc1{\mathit{H}}_{\mathit{c}1}Hc1​ (=\ensuremath{\Delta}), where \ensuremath{\Delta} is the Haldane gap. It is also found that the transverse spin correlation has the asymptotic form 〈S0x{\mathit{S}}_{0}^{\mathit{x}}S0x​Srx{\mathit{S}}_{\mathit{r}}^{\mathit{x}}Srx​〉\ensuremath{\sim}(-1)r{)}^{\mathit{r}})r${\mathit{r}}^{\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\eta}}}$, and the transverse staggered susceptibility ${\mathrm{\ensuremath{\chi}}}_{\mathrm{st}}^{\mathit{x}\mathit{x}}$ diverges between Hc1{\mathit{H}}_{\mathit{c}1}Hc1​ and Hc2{\mathit{H}}_{\mathit{c}2}Hc2​ (=4). The exponent \ensuremath{\eta} has a minimum (\ensuremath{\eta}\ensuremath{\simeq}0.3) at magnetization m\ensuremath{\simeq}1/3 and \ensuremath{\eta}\ensuremath{\simeq}0.5 at Hc1{\mathit{H}}_{\mathit{c}1}Hc1​ and Hc2{\mathit{H}}_{\mathit{c}2}Hc2​. If the system is quasi-one-dimensional, even small interchain couplings can create a canted N\'eel order, within a mean-field approximation for interchain interactions. This is consistent with a recent NMR measurement for 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) at low temperature.