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Journal of Applied Physics

Ground state properties of the S=1/2 Heisenberg antiferromagnet on the triangular lattice

Luca Capriotti, A. E. Trumper, Sandro Sorella

Published May 1, 2000• 2 citations
Publisher

Abstract

We investigate the ground state properties of the S=1/2 Heisenberg antiferromagnet on the triangular lattice using mainly exact diagonalization (for lattices up to N=36 sites) and the recently developed Green Function Monte Carlo with stochastic reconfiguration (up to N=144). A systematic size scaling of the order parameter and of the spin gap gives strong evidences for the presence of long-range Néel order in the ground state of this highly frustrated model.

DOI
10.1063/1.372926

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We investigate the ground state properties of the S=1/2 Heisenberg antiferromagnet on the triangular lattice using mainly exact diagonalization (for lattices up to N=36 sites) and the recently developed Green Function Monte Carlo with stochastic reconfiguration (up to N=144). A systematic size scaling of the order parameter and of the spin gap gives strong evidences for the presence of long-range Néel order in the ground state of this highly frustrated model.
We have studied the Heisenberg model on the triangular lattice using quantum Monte Carlo techniques (up to 144 sites) and exact diagonalization (up to 36 sites). By studying the spin gap as a function of the system size we have obtained robust evidence for a gapless spectrum, confirming the existence of long-range N\'eel order. Our best estimate is that in the thermodynamic limit the order parameter ${m}^{\ifmmode\dagger\else\textdagger\fi{}}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.41\ifmmode\pm\else\textpm\fi{}0.02$ is reduced by about 5959%59 from its classical value and the ground state energy per site is ${e}_{0}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\ensuremath{-}0.5458\ifmmode\pm\else\textpm\fi{}0.0001$ in units of the exchange coupling. We have identified the ground state correlations that are important at short distances.
We study the ground-state phase diagrams and properties of spin-1/2 Heisenberg models on the diamond-like-decorated square and triangular lattices. The diamond-like-decorated square (triangular) lattice is a lattice in which the bonds of a square (triangular) lattice are replaced with diamond units. The diamond unit has two types of antiferromagnetic exchange interactions, and the ratio λ of the strength of the diagonal bond to that of the other four edges determines the ground-state properties. In particular, the macroscopically degenerated tetramer-dimer states, which are equivalent to the dimer covering states of the original lattices, are stabilized for λc < λ < 2, where the value of λc depends on the lattices. To determine the phase diagrams and boundaries λc, we employ the modified spin wave (MSW) method and the quantum Monte Carlo (QMC) method to estimate the ground-state energies of the ferrimagnetic states for λ < λc, where we can consider the mixed spin-1 and spin-1/2 Lieb-lattice and triangular Lieb-lattice Heisenberg antiferromagnets instead, and obtain λc(square)=0.974 and λc(triangular)=0.988. We also calculate the long-range order (LRO) parameters using the MSW and QMC methods and find the scaling relations where the spin reductions of each sublattice are inversely proportional to the number of sublattice sites. We prove these scaling relations by applying an infinitesimal uniform magnetic field. Furthermore, by examining the calculation process in the MSW, we clarify the mathematical structure behind the scaling relations for the sublattice LROs.
Based on the triangular lattice and its depletions there are three simple frustrated antiferromagnetic Heisenberg models in two dimensions.The first two, the triangular and kagοmé lattices, have been examined in the recent past.The triangular lattice seems to have a łong range order whereas the kagomé does not show the long range order.But these results are still con-' troversial.This work is concentrated on a third type of this lattice family in order to improve the understanding of the connection between the long range order and coordination number in low dimensional systems.Bets has described the geometric properties of this lattice.It has a coordination number 5, which lies precisely between coordination numbers 6 and 4 of the other two lattices.The low-lying spectra and the correlation functions of finite lattices have been examined to discuss the possibility of a long range ordered ground state in the I/7-depleted triangular lattice.The low-lying spectrum is generated by an exact diagonalization, and the tower of states behavior points to a long range ordered ground state.
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.
We study, on the basis of the general entangled-plaquette variational ansatz, the ground-state (GS) properties of the spin- antiferromagnetic Heisenberg model on the triangular lattice. Our numerical estimates are in good agreement with available exact results and comparable, for large system sizes, to those computed via the best alternative numerical approaches, or by means of variational schemes based on specific (i.e. incorporating problem-dependent terms) trial wave functions (WFs). The extrapolation to the thermodynamic limit of our results for lattices comprising up to N =324 spins yields an upper bound of the GS energy per site (in units of the exchange coupling) of − 0.5458(2) [−0.4074(1) for the XX model], while the estimated infinite-lattice order parameter is 0.3178(5) (i.e. ∼64% of the classical value).