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Physical review. B, Condensed matter

Ground state of antiferromagnetic Heisenberg rings studied by the projector method

Hiroshi Betsuyaku, Terufumi Yokota

Published May 1, 1986• 26 citations
Publisher

Abstract

A very powerful method for the numerical study of the ground state of quantum systems is proposed using the quantum transfer matrix as a projection operator onto the ground state. We calculate the ground-state correlation functions of antiferromagnetic Heisenberg rings of S=(1/2) and 1 with spin sizes up to 20 and 12, respectively. The size dependence of the correlations is reexamined. For S=1 the ground-state energy is found to show a quite different size dependence according to whether the ring has even or odd spins. The difference is interpreted by considering a dimer suggested by Hubbard.

DOI
10.1103/physrevb.33.6505

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Numerical Solution of the spin-32\frac {3}{2}23​ Heisenberg Antiferromagnetic Chains Using a Projector Method
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Abstract An efficient projector Monte Carlo method has been used to calculate the energies of the ground state and the first excited state, and hence the gap between them, of the spin-1 Heisenberg antiferromagnetic chains with linear sizes up to <?CDATA N=40N=40N=40?> . We have computed them on chains up to <?CDATA N=40N=40N=40?> . We have found that the size-dependence of the ground state energy per site has the form <?CDATA [e0(N)−e0]∼1/N5/2s[e_0(N)-e_0]\sim 1/N^{5/2s}[e0​(N)−e0​]∼1/N5/2s?> , which implies that there is a gap between the ground state and the first excited state. The value of the ground state energy per site as <?CDATA N→∞N\rightarrow \inftyN→∞?> is <?CDATA e0=−1.3996e_0=-1.3996e0​=−1.3996?> . The direct extrapolation of <?CDATA ΔE(N)\Delta E(N)ΔE(N)?> also shows that a gap of <?CDATA ΔE=0.36\Delta E=0.36ΔE=0.36?> exists as <?CDATA N→∞N\rightarrow \inftyN→∞?> .
An efficient projector Monte Carlo method has been used to calculate the energies of the ground state and the first excited state, and hence the gap between them, of the spin-2 Heisenberg antiferromagnetic chains with linear sizes up to N=32. By direct extrapolation, we found that a Haldane gap exists, \ensuremath{\Delta}E=0.05, and the value of the ground-state energy per site is e0{\mathit{e}}_{0}e0​=-4.7545 as N\ensuremath{\rightarrow}\ensuremath{\infty}.
Systematic properties of the first excited state are presented for various ring sizes and spin quantum numbers which are only partly covered by the theorem of Lieb, Schultz, and Mattis. For odd ring sizes the first excited energy eigenvalue shows unexpected degeneracy and related shift quantum numbers. As a byproduct the ground state energy as well as the energy of the first excited state of infinite chains are calculated by extrapolating the properties of only a few, finite, antiferromagnetically coupled Heisenberg rings using the powerful Levin sequence acceleration method.
The spin-1/2 antiferromagnetic Heisenberg and X Y models are investigated on the triangular lattice by numerically diagonalizing finite size systems (up to 21 spins). The ground state energies of both models are found to be close to other theoretical predictions except those of Marland and Betts who performed similar analysis to ours. We have numerically constructed a resonating valence bond state of Anderson. It has a relatively large projection on the ground state of the finite Heisenberg model, although the absolute value of the projection decreases linearly with the system size. The trial function proposed by Miyashita for the X Y model does not have an appreciable projection on the numerically exact state. We present evidence for the absence of a sublattice long range order in the Heisenberg model and the existence of the same quantity in the X Y model.
The spin pair-correlation function of finite bipartite antiferromagnetic Heisenberg quantum spin rings was studied numerically by means of exact diagonalization techniques. For large spins, the spectrum of the spin pair-correlation function is of a remarkably simple structure: It consists of few characteristic peaks at low, and a broad featureless signal at high temperatures. This arises as the energy spectrum exhibits a set of parallel rotational bands at low energies emerging into a quasi-continuum of states, with transitions from the lowest rotational band to the quasi-continuum being highly suppressed. The energies of the rotational bands can be accurately described by a generalized dispersion relation that depends on the total spin quantum number and, as usual, on the shift quantum number. These regularities are better fulfilled the larger the spin length but the smaller the ring size. It will be shown that all these features are associated with the underlying sublattice structure of the spin rings, and it is argued that they are valid for a more general class of finite Heisenberg systems than rings.