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Physical review. B, Condensed matter

Spatial periodicity of the spin-1/2 Heisenberg antiferromagnetic chain with competing interactions

Chen Zeng, John B. Parkinson

Published May 1, 1995• 23 citations
Publisher

Abstract

A resonating-valence-bond (RVB) wave function including the nearest- and next-nearest-neighbor singlets is proposed for the S=1/2 Heisenberg antiferromagnetic chain with competing interactions. A variational upper bound for the ground-state energy is provided. Spin-spin correlation functions are calculated analytically and compared with those obtained by finite-size exact diagonalizations. Within this RVB ansatz, the spatial periodicity of the ground-state wave function, which is defined as the phase modulation of spin-spin correlation functions, is found to undergo a discontinuous transformation from two-fold to four-fold as the relative strength of the competing interactions is varied. We further discuss this transformation in terms of the Marshall-Peierls sign rule.

DOI
10.1103/physrevb.51.11609

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A resonating-valence-bond (RVB) wave function including the nearest- and next-nearest-neighbor singlets is proposed for the S=1/2 Heisenberg antiferromagnetic chain with competing interactions. A variational upper bound for the ground-state energy is provided. Spin-spin correlation functions are calculated analytically and compared with those obtained by finite-size exact diagonalizations. Within this RVB ansatz, the spatial periodicity of the ground-state wave function, which is defined as the phase modulation of spin-spin correlation functions, is found to undergo a discontinuous transformation from two-fold to four-fold as the relative strength of the competing interactions is varied. We further discuss this transformation in terms of the Marshall-Peierls sign rule.
We consider a resonating-valence-bond state as a trial wave function for the ground state of the antiferromagnetic Heisenberg model on the square lattice. The energy and the staggered spin-spin correlation functions are calculated on a small lattice and are compared with the results of the exact diagonalization of Oitmaa and Betts. The trial energy is only about 4.7% different from the exact ground-state energy on a 4\ifmmode\times\else\texttimes\fi{}4 lattice. The importance of the singlet pairs between the next-nearest antiferromagnetic sites is inferred. An argument against the previous interpretation of the numerical data as being evidence of long-range order is presented.
Dynamic spin correlation function of the S=1/2S=1/2S=1/2 antiferromagnetic spin chain with alternating nearest neighbor and competing next nearest neighbor interactions is studied using the numerical diagonalization method. We find characteristics of the correlation function, which are the consequence of the dimer order in the ground state: (1) A typical singlet-triplet gap is observed and such a lowest-energy triplet state is found to form a bound state, showing strong peaks below a continuum band with weak but distinct upper and lower boundaries. (2) The intensity of the bound state shows a quite different wavevector-dependence from that of the corresponding intensity at the lower boundary in the usual antiferromagnet. These features are examined by the variational calculation and are favorably discussed in connection with recent experimental results of neutron inelastic scattering in the inorganic spin-Peierls system, CuGeO3_33​.
We have studied the spectrum of low-spin eigenstates of a spin-(1/2 Heisenberg model on 4\ifmmode\times\else\texttimes\fi{}4 square lattices with up to third-neighbor antiferromagnetic exchange interactions. We have computed the staggered susceptibility, spin-spin correlation function, and the overlap of the exact ground state with various variational spin-density-wave ordered states as well as with the equal-amplitude, nearest-neighbor resonating-valence-bond state (which is the prototypical short-ranged RVB state). We find evidence for a complicated phase diagram with a region in which a short-ranged RVB state may be the ground state.
The ground states of the antiferromagnetic Heisenberg model on the triangular and square lattices are discussed with use of the combinatorial method on the basis of Anderson's RVB (resonating-valence-bond) variational wave-function. Some properties of RVB states are studied systematically for finite system-size N up to 20 and are compared to the exact values. For the triangular lattice the estimated energy value E RVB =-2.08 is closer to the exact value than that of the spin-wave theory. The value E RVB =-2.36 is estimated for the square lattice. For the square lattice our RVB state is closer to the exact ground state than the Néel state is in the sense of a wave-function. The dimer problem has a close relation to RVB states and is used to count exactly the number of singlet-pair configurations.
The trial function including a few variational parameters introduced by the consideration of geometrical characters is proposed for the purpose of discussing the exact ground-state wave function of spin-1/2 Heisenberg antiferromagnet on a square lattice. In this wave function, the essential contribution of singlet pairings with larger separations between spin sites rather than the 1st nearest neighbor is taken into account. The obtained solution for spin number N ≤26 on the basis of this extended RVB (resonating-valence-bond) picture comes quite close to the exact solution, though we use only a few geometrical parameters for the systems constituted by many degrees of freedom.
'Resonating-valence-bond' (RVB) variational wavefunctions are numerically investigated in order to describe the ground state and the singlet low-lying excited states of the spin-1/2, J 1 -J 2 Heisenberg antiferromagnet with 1/8<or approximately=J 2 /J 1 <or approximately=1 on triangular lattices of N=4p sites compatible with the classical Neel orders. Comparison with previous exact diagonalization results indicates that the singlet eigenstates associated with collinear Neel order, among which the ground state is found, can be accurately described with appropriate superpositions of two-sublattice RVB trial states, while the other singlet low-lying eigenstates associated with four-sublattice Neel order can be well approximated from the four-sublattice RVB trial states.