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Journal of Physics Condensed Matter

A coupled-cluster treatment of spin- 1/2 systems with nearest- and next-nearest-neighbour interactions

DAMIAN J. J. FARNELL, John B. Parkinson

Published Jul 11, 1994• 28 citations
Publisher

Abstract

The coupled-cluster method of quantum many-body theory is applied to 1D and 2D spin- 1/2 systems with nearest-neighbour and next-nearest-neighbour isotropic exchange. Several simple approximation schemes based on a Neel model state are investigated and are found to give satisfactory results in the antiferromagnetic regime. Results are given for the ground-state energy, the order parameter and the sublattice magnetization. We obtain evidence of a phase transition.

DOI
10.1088/0953-8984/6/28/024

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We study quantum spin systems in the 1D, 2D square and 3D cubic lattices with nearest-neighbour XY-exchange. We use the coupled-cluster method (CCM) to calculate the ground-state energy, the T = 0 sublattice magnetization and the excited-state energies, all as functions of the anisotropy parameter . We consider the case with S = 1/2 in detail and give some results for higher S. In 1D these results are compared with the exact S = 1/2 results and in 2D with Monte Carlo and series expansions. We obtain critical points close to the expected value and our extrapolated LSUBn results for the ground-state energy are well converged for all except very close to the critical point.
The coupled-cluster method (CCM) is applied to the spin- model for the 1D chain and the 2D square lattice in the region . A CCM model state is chosen in which all spins lie in the xy plane with nearest-neighbour spins anti-parallel. Very good agreement with the exactly known ground-state energies in 1D is obtained, and good agreement with Monte Carlo results is obtained for the 2D case. The sublattice magnetization is obtained, and evidence of phase transition points in both 1D and 2D is presented. The critical behaviour of the 1D ground-state energy near the ferromagnetic phase transition point is investigated.
The coupled-cluster method (CCM) is applied to anisotropic-quantum-antiferromagnetic models in one and two dimensions (1D and 2D). Several hierarchical approximation schemes of the CCM are defined, which are specialized for the spin-lattice models. Good results are obtained for both ground-state and excited-state energies. The spin-spin correlation functions and the staggered magnetizations are also calculated. We have found that the CCM gives a qualitatively correct description of the entire Heisenberg-Ising phase, including the critical point where a phase transition occurs in 1D. Some interesting differences between 1D and 2D models near the critical point are discussed.
We study the T=0 frustrated phase of the 1D quantum spin- 1/2 system with nearest-neighbour and next-nearest-neighbour isotropic exchange known as the Majumdar-Ghosh Hamiltonian. We first apply the coupled-cluster method of quantum many-body theory based on a spiral model state to obtain the ground-state energy and the pitch angle. These results are compared with accurate numerical results using the density matrix renormalization group method, which also gives the correlation functions. We also investigate the periodicity of the phase using the Marshall sign criterion. We discuss particularly the behaviour close to the phase transitions at each end of the frustrated phase.
We study the T=0 frustrated phase of the 1D quantum spin- 1/2 system with nearest-neighbour and next-nearest-neighbour isotropic exchange known as the Majumdar-Ghosh Hamiltonian. We first apply the coupled-cluster method of quantum many-body theory based on a spiral model state to obtain the ground-state energy and the pitch angle. These results are compared with accurate numerical results using the density matrix renormalization group method, which also gives the correlation functions. We also investigate the periodicity of the phase using the Marshall sign criterion. We discuss particularly the behaviour close to the phase transitions at each end of the frustrated phase.
Interest in lattice quantum spin systems as models of quantum magnets has increased with the discovery of new and interesting magnetic materials. Here we use a well-known technique of quantum many-body theory, namely the coupled-cluster method (CCM), to investigate the nearest-neighbour, spin-½, anisotropic Heisenberg model on the square lattice. Ground-state expectation values for quantities such as the ground-state energy and the sublattice magnetisation are determined to an accuracy comparable with that of the best of other available techniques including Monte Carlo methods. In order to demonstrate this point we present results for various values of the anisotropy parameter, including those for the isotropic Heisenberg model and the isotropic XY model. We show that it is now possible to determine the presence and position of the quantum phase transitions using ab initio CCM calculations, and furthermore that we can accurately predict the critical behaviour at these points.