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Physical review. B, Condensed matter

Resonating-valence-bond state: Comments on the antiferromagnetic ordering of the two-dimensional Heisenberg model

Mahito Kohmoto

Published Mar 1, 1988• 44 citations
Publisher

Abstract

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.

DOI
10.1103/physrevb.37.3812

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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.
The ground-state properties of the spin-(1/2 Heisenberg antiferromagnet on a square lattice are studied by using a simple variational wave function that interpolates continuously between the N\'eel state and short-range resonating-valence-bond states. Exact calculations of the variational energy for small systems show that the state with the lowest energy has long-range antiferromagnetic order. The staggered magnetization in this state is approximately 70% of its maximum possible value. The variational estimate of the ground-state energy is substantially lower than the value obtained for the nearest-neighbor resonating-valence-bond wave function.
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We consider a class of singlet resonanting-valence-bond wave functions on a square lattice, with the bond-length distribution as a variational parameter. This class contains the two limiting cases of the dimer wave function and of the N\'eel state. We present numerical calculations of the energy and the spin-spin correlation functions up to very large lattice sizes (180\ifmmode\times\else\texttimes\fi{}180) both for disordered states with exponentially decaying correlation functions and for ordered states. The energy of a disordered state can be within 0.1% of our best ordered state ($\frac{\ensuremath{-}0.3344J}{\mathrm{bond}}$).
The ground state of the spin-\textonehalf{} Heisenberg model with antiferromagnetic coupling on a square lattice is analyzed in terms of nearest-neighbor resonating pair-bond states. Extrapolating from finite lattice calculations it is found that the pair-bond state provides a much closer variational estimate of the ground-state energy than the widely used Gutzwiller wave function. The effect of an orthorhombic distortion of the square lattice, such as that observed in the Cu-O planes in the high-Tc{T}_{c}Tc​ oxides, on the spin state is analyzed by exact calculation for finite lattices. From total-energy considerations it is found that the system has a slight tendency towards such a lattice distortion.