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Physical review. B, Condensed matter

Haldane gaps in a spin-1 Heisenberg chain with easy-plane single-ion anisotropy

O. Golinelli, Th. Jolicœur, R. Lacaze

Published May 1, 1992• 97 citations
Publisher

Abstract

We study a Heisenberg antiferromagnetic chain of spin S=1 with nearest-neighbor exchange interaction J and easy-plane single-ion anisotropy D. We follow the splitting of the Haldane gap into two components as a function of the anisotropy. Chains of length up to 16 sites are studied by a Lancz\"os method and longer chains up to 32 sites have been investigated by a quantum Monte Carlo simulation for D/J=0.10, 0.15, 0.20, and 0.25. A careful finite-size scaling treatment of our data leads to values that are directly relevant to the interpretation of experiments on Ni(${\mathrm{C}}_{2}$${\mathrm{H}}_{8}$${\mathrm{N}}_{2}$${)}_{2}$${\mathrm{NO}}_{2}$${\mathrm{ClO}}_{4}$ (NENP). We discuss the relationship between our results and the magnetic-susceptibility measurements as well as the inelastic-neutron-scattering data and on the Haldane conjecture. Values are proposed for the parameters D and J in the case of NENP.

DOI
10.1103/physrevb.45.9798

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We study a Heisenberg antiferromagnetic chain of spin S=1 with nearest-neighbor exchange interaction J and easy-plane single-ion anisotropy D. We follow the splitting of the Haldane gap into two components as a function of the anisotropy. Chains of length up to 16 sites are studied by a Lancz"os method and longer chains up to 32 sites have been investigated by a quantum Monte Carlo simulation for D/J=0.10, 0.15, 0.20, and 0.25. A careful finite-size scaling treatment of our data leads to values that are directly relevant to the interpretation of experiments on Ni({\mathrm{C}}_{2}$${\mathrm{H}}_{8}$${\mathrm{N}}_{2}$${)}_{2}$${\mathrm{NO}}_{2}$${\mathrm{ClO}}_{4} (NENP). We discuss the relationship between our results and the magnetic-susceptibility measurements as well as the inelastic-neutron-scattering data and on the Haldane conjecture. Values are proposed for the parameters D and J in the case of NENP.
We study the dispersion of magnetic excitations in a Heisenberg antiferromagnetic chain of spin S=1 with exchange J and single-ion anisotropy D. Chains of length up to 18 sites are studied by a Lanczo\ifmmode\ddot\else\textasciidieresis\fi{}s method. For the Haldane phase DDc{\mathit{D}}_{\mathit{c}}Dc​\ensuremath{\approxeq}J we show that the gap at zero momentum and Sz{\mathit{S}}^{\mathit{z}}Sz=1 is given by the sum of the gaps in the sectors Sz{\mathit{S}}^{\mathit{z}}Sz=1 and Sz{\mathit{S}}^{\mathit{z}}Sz=0 at momentum \ensuremath{\pi}. The transition region near D=J is likely to be reduced to an isolated point. Large-D perturbation theory is smoothly recovered as soon as D>2J. We discuss the implications for experiments 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) as well as CsFeBr3{\mathrm{CsFeBr}}_{3}CsFeBr3​.
We investigate the magnetic field behaviour of an antiferromagnetic Heisenberg spin-1 chain with the most general single-ion anisotropy. We discuss the regime in which the magnetic field is below the transition value. The splitting of the Haldane triplet is obtained as a function of a field applied in an arbitrary orientation by means of a Lanczos exact diagonalization of chains of up to 16 spins. Our results are well summarized in terms of a first-order perturbation theory. We explain various level crossings that occur by the existence of discrete symmetries. A discussion is given of the electron-spin-resonance and neutron-scattering experiments on the compound Ni(C 2 H 8 N 2 ) 2 NO 2 ClO 4 (NENP).
A full description of a series of spin-wave measurements in CsNiCl3{\mathrm{CsNiCl}}_{3}CsNiCl3​ in the three-dimensional (3D) and one-dimensional (1D) phases and their analysis to provide the first experimental evidence for the Haldane gap is presented. Neutron scattering experiments were performed on a single crystal of CsNiCl3{\mathrm{CsNiCl}}_{3}CsNiCl3​ with both (h,0,l) and (h,h,l) as the scattering plane. The order parameter in both 3D phases was measured and the spin-wave dispersion determined in the lower phase. The spin-wave spectrum calculated from a dynamic susceptibility method was compared with the experimental response in the lower 3D phase to obtain the following values for the exchange and anisotropy constants: J=0.345\ifmmode\pm\else\textpm\fi{}0.008 THz, J'=0.0060\ifmmode\pm\else\textpm\fi{}0.005 THz, and D=-0.0130\ifmmode\pm\else\textpm\fi{}0.0015 THz. These parameters confirm that CsNiCl3{\mathrm{CsNiCl}}_{3}CsNiCl3​ in its disordered phase is a good approximation to a one-dimensional Heisenberg antiferromagnet. In the 1D phase the gap frequency for an isolated chain of Ni2+{\mathrm{Ni}}^{2+}Ni2+ ions is found to be 0.32 THz close to the gap estimated in finite-chain calculations. The results constitute experimental support for the Haldane conjecture that the excitations of integer-spin chains, unlike half-integer--spin chains, exhibit an apparent anisotropy that arises not from the underlying isotropic Hamiltonian, but from many-body effects.
The authors study the dynamic spin correlation function of a spin-1 antiferromagnetic chain with easy-plane single-ion anisotropy. They use exact diagonalization by the Lanczos method for chains of length up to N=16 spins. They show that a single-mode approximation is an excellent description of the dynamical properties. A variational calculation allows them to clarify the nature of the excitations. The existence of a two-particle continuum near-zero wavevector is clearly seen, both in finite-size effects and in the dynamical structure factor. The recent neutron scattering experiments on the quasi-one-dimensional antiferromagnet NENP are fully explained by the results.