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arXiv:cond-mat/9212014 · Journal of Physics Condensed Matter

Dynamical properties of a Haldane-gap antiferromagnet

O. Golinelli, Th. Jolicœur, R. Lacaze

Published Mar 1, 1993• 33 citations
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Abstract

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.

DOI
10.1088/0953-8984/5/9/024

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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.
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).
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(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). 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.
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.
We calculate dynamical structure factors of the S=1S=1S=1 bond-alternating Heisenberg chain with a single-ion anisotropy in transverse magnetic fields, using a continued fraction method based on the Lanczos algorithm. In the Haldane-gap phase and the dimer phase, dynamical structure factors show characteristic field dependence. Possible interpretations are discussed in the viewpoint of the field dependence of the excitation continuum. The numerical results are in qualitative agreement with recent results for inelastic neutron-scattering experiments on the S=1S=1S=1 bond-alternating Heisenberg-chain compound Ni(C9D24N4)(NO2)ClO4\mathrm{Ni}({\mathrm{C}}_{9}{\mathrm{D}}_{24}{\mathrm{N}}_{4})(\mathrm{N}{\mathrm{O}}_{2})\mathrm{Cl}{\mathrm{O}}_{4}Ni(C9​D24​N4​)(NO2​)ClO4​ and the S=1S=1S=1 Haldane-gap compound Ni(C5D14N2)2N3(PF6)\mathrm{Ni}{({\mathrm{C}}_{5}{\mathrm{D}}_{14}{\mathrm{N}}_{2})}_{2}{\mathrm{N}}_{3}(\mathrm{P}{\mathrm{F}}_{6})Ni(C5​D14​N2​)2​N3​(PF6​) in transverse magnetic fields.