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arXiv:2412.17495 · Physical review. B./Physical review. B

Quantum phase diagram of the bilayer Kitaev-Heisenberg model

Elahe Samimi, Antonia Duft, Patrick Adelhardt, Kai Phillip Schmidt, Saeed S. Jahromi

Published Apr 16, 2026• 0 citations
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Abstract

We study the ground-state phase diagram of the spin-$1/2$ Kitaev-Heisenberg model on the bilayer honeycomb lattice with large-scale tensor network calculations based on the infinite projected entangled pair state technique as well as high-order series expansions. We find that beyond various magnetically ordered phases, including ferromagnetic, zigzag, antiferromagnetic (AFM) and stripy states, two extended quantum spin liquid phases arise in the proximity of the Kitaev limit. While these ordered phases also appear in the monolayer Kitaev-Heisenberg model, our results further show that a valence bond solid state emerges in a relatively narrow range of parameter space between the AFM and stripy phases, which can be adiabatically connected to isolated Heisenberg dimers. Our results highlight the importance of considering interlayer interactions on the emergence of novel quantum phases in the bilayer Kitaev materials.

DOI
10.1103/fl9d-22dy

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We map out the ground state phase diagram of the spin-12\frac{1}{2}21​ isotropic Kekul\'e-Kitaev model on the honeycomb lattice in the presence of the Heisenberg exchange couplings. Our study relies on large-scale tensor network simulations based on a graph-based projected entangled pair state approach and simple tensor update in the thermodynamic limit. We find that, on top of the quantum spin liquid and conventional magnetically ordered phases which are typical of the Kitaev-Heisenberg model, the Kekul\'e-Heisenberg phase diagram hosts two plaquette valence bond solid (VBS) phases with vanishing magnetic order. While the VBS phases preserve the symmetries of the original Hamiltonian, they differ markedly from the Kitaev spin liquid by having decorated plaquette ordering which is distinguished by a plaquette order parameter.
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Kitaev's honeycomb-lattice spin-1/21/21/2 model has become a paradigmatic example for Z2{\mathbb{Z}}_{2}Z2​ quantum spin liquids, both gapped and gapless. Here we study the fate of these spin-liquid phases in differently stacked bilayer versions of the Kitaev model. Increasing the ratio between the interlayer Heisenberg coupling ${J}_{\ensuremath{\perp}}$ and the intralayer Kitaev couplings Kx,y,z{K}^{x,y,z}Kx,y,z destroys the topological spin liquid in favor of a paramagnetic dimer phase. We study phase diagrams as a function of ${J}_{\ensuremath{\perp}}/K$ and Kitaev coupling anisotropies using Majorana-fermion mean-field theory, and we employ different expansion techniques in the limits of small and large ${J}_{\ensuremath{\perp}}/K$. For strongly anisotropic Kitaev couplings, we derive effective models for the different layer stackings that we use to discuss the quantum phase transition out of the Kitaev phase. We find that the phase diagrams depend sensitively on the nature of the stacking and anisotropy strength. While in some stackings and at strong anisotropies we find a single transition between the Kitaev and dimer phases, other stackings are more involved. Most importantly, we prove the existence of two novel macrospin phases, which can be understood in terms of Ising chains that can be either coupled ferromagnetically or remain degenerate, thus realizing a classical spin liquid. In addition, our results suggest the existence of a flux phase with spontaneous interlayer coherence. We discuss prospects for experimental realizations.