Frustrated Heisenberg antiferromagnet on the honeycomb lattice: Spin gap and low-energy parameters

TL;DR

This study uses high-order coupled cluster calculations to analyze the phase diagram and low-energy properties of a frustrated spin-1/2 Heisenberg antiferromagnet on the honeycomb lattice, revealing two magnetic phases and an intermediate quantum paramagnetic phase.

Contribution

It provides the first comprehensive set of low-energy parameters and phase transition characterizations for the J1-J2-J3 honeycomb antiferromagnet using advanced coupled cluster methods.

Findings

Identifies two antiferromagnetic phases with Nel and striped order.

Evidence for a gapped quantum paramagnetic phase between critical points.

Determines critical values 1  0.45 and 2  0.60 for phase transitions.

Abstract

We use the coupled cluster method implemented to high orders of approximation to investigate the frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$ antiferromagnet on the honeycomb lattice with isotropic Heisenberg interactions of strength $J_{1} > 0$ between nearest-neighbor pairs, $J_{2}>0$ between next-nearest-neighbor pairs, and $J_{3}>0$ between next-next-neareast-neighbor pairs of spins. In particular, we study both the ground-state (GS) and lowest-lying triplet excited-state properties in the case $J_{3}=J_{2} \equiv \kappa J_{1}$, in the window $0 \leq \kappa \leq 1$ of the frustration parameter, which includes the (tricritical) point of maximum classical frustration at $\kappa_{{\rm cl}} = \frac{1}{2}$. We present GS results for the spin stiffness, $\rho_{s}$, and the zero-field uniform magnetic susceptibility, $\chi$, which complement our earlier results for the GS energy per spin, $E/N$, and staggered magnetization, $M$, to yield a complete set of accurate low-energy parameters for the model. Our results all point towards a phase diagram containing two quasiclassical antiferromagnetic phases, one with N\'eel order for $\kappa < \kappa_{c_{1}}$, and the other with collinear striped order for $\kappa > \kappa_{c_{2}}$. The results for both $\chi$ and the spin gap $\Delta$ provide compelling evidence for a quantum paramagnetic phase that is gapped over a considerable portion of the intermediate region $\kappa_{c_{1}} < \kappa < \kappa_{c_{2}}$, especially close to the two quantum critical points at $\kappa_{c_{1}}$ and $\kappa_{c_{2}}$. Each of our fully independent sets of results for the low-energy parameters is consistent with the values $\kappa_{c_{1}} = 0.45 \pm 0.02$ and $\kappa_{c_{2}} = 0.60 \pm 0.02$, and with the transition at $\kappa_{c_{1}}$ being of continuous (and probably of the deconfined) type and that at $\kappa_{c_{2}}$ being of first-order type.