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arXiv:0812.3229 · Journal of the Physical Society of Japan

Variational RVB Wave Function for the Spin-1/2 Heisenberg Model on Honeycomb Lattice

Zahra Noorbakhsh, Farhad Shahbazi, S. A. Jafari, G. Baskaran

Published Apr 27, 2009• 17 citations
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Abstract

In this work, a long-range resonating valence bond state is proposed as a variational wave function for the ground state of the $S=1/2$ antiferromagnetic Heisenberg model on the honeycomb lattice. Employing Variational Monte Carlo (VMC) method, we show that the ground state energy obtained from such RVB wave function, lies well below the energy of the Néel state and compares very well to the energies evaluated from spin-wave theory and series expansion method. We also obtain the spin-spin correlation function along zig-zag and armchair directions and find that the two correlations are different, which indicates the anisotropic nature of the system. We compare our results with the square lattice and we show that although the quantum fluctuations on honeycomb lattice are much stronger, but do not completely destroy the magnetic order.

DOI
10.1143/jpsj.78.054701

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In this work, a long-range resonating valence bond state is proposed as a variational wave function for the ground state of the S=1/2S=1/2S=1/2 antiferromagnetic Heisenberg model on the honeycomb lattice. Employing Variational Monte Carlo (VMC) method, we show that the ground state energy obtained from such RVB wave function, lies well below the energy of the Néel state and compares very well to the energies evaluated from spin-wave theory and series expansion method. We also obtain the spin-spin correlation function along zig-zag and armchair directions and find that the two correlations are different, which indicates the anisotropic nature of the system. We compare our results with the square lattice and we show that although the quantum fluctuations on honeycomb lattice are much stronger, but do not completely destroy the magnetic order.
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.
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.
We study bond and spin correlations of the nearest-neighbor resonating valence bond (RVB) wave function for a SU(2) symmetric S=1/2S=1/2S=1/2 antiferromagnet on the honeycomb lattice. We find that spin correlations in this wave function are short ranged, while the bond energy correlation function takes on an oscillatory power-law form $D(\stackrel{P\vec}{r})\ensuremath{\sim}cos(\mathbf{Q}\ifmmode\cdot\else\textperiodcentered\fi{}\stackrel{P\vec}{r})/{|\stackrel{P\vec}{r}|}^{{\ensuremath{\eta}}_{w}(2)}$, where $\mathbf{Q}=(2\ensuremath{\pi}/3,\ensuremath{-}2\ensuremath{\pi}/3)$ is the wave vector corresponding to ``columnar'' valence-bond solid order on the honeycomb lattice, and ${\ensuremath{\eta}}_{w}(2)\ensuremath{\approx}1.49(3)$. We use a recently introduced large-ggg expansion approach to relate bond-energy correlators of the SU(g)\mathrm{SU}(g)SU(g) wave function to dimer correlations of an interacting fully packed dimer model with a three-dimer interaction of strength $V(g)=\ensuremath{-}ln(1+1/{g}^{2})$. Putting g=2g=2g=2, we find numerically that the dimer correlation function ${D}^{d}(\stackrel{P\vec}{r})$ of this dimer model has power-law behavior ${D}^{d}(\stackrel{P\vec}{r})\ensuremath{\sim}cos(\mathbf{Q}\ifmmode\cdot\else\textperiodcentered\fi{}\stackrel{P\vec}{r})/{|\stackrel{P\vec}{r}|}^{{\ensuremath{\eta}}_{d}(2)}$ with ${\ensuremath{\eta}}_{d}(2)\ensuremath{\approx}1.520(15)$, in rather good agreement with the wave function results. We also study the same quantities for g=3,4,10g=3,4,10g=3,4,10 and find that the bond-energy correlations in the SU(g)\mathrm{SU}(g)SU(g) wave function are consistently well reproduced by the corresponding dimer correlations in the interacting dimer model.
'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.
We investigate the ground-state phase diagram of an anisotropic Heisenberg model on the honeycomb lattice with competing interactions. We use quantum Monte Carlo simulations, as well as linear spin-wave and Ising series expansions, to determine the phase boundaries of the ordered magnetic phases. We find a region without any classical order in the vicinity of a highly frustrated point. Higher-order correlation functions in this region give no signal for long-range valence-bond order. The low-energy spectrum is derived via exact diagonalization to check for topological order on small-size periodic lattices.