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arXiv:1802.00874 · Physical review. B./Physical review. B

Quantum phase diagram of spin-1 J1−J2 Heisenberg model on the square lattice: An infinite projected entangled-pair state and density matrix renormalization group study

Reza Haghshenas, Wang-Wei Lan, Shou-Shu Gong, D. N. Sheng

Published May 31, 2018• 21 citations
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Abstract

We study the spin-1 Heisenberg model on the square lattice with the antiferromagnetic nearest-neighbor ${J}_{1}$ and the next-nearest-neighbor ${J}_{2}$ couplings by using the infinite projected entangled-pair state (iPEPS) ansatz and the density matrix renormalization group (DMRG) calculation. The iPEPS simulation, which studies the model directly in the thermodynamic limit, finds a crossing of the ground state from the N\'eel magnetic state to the stripe magnetic state at ${J}_{2}/{J}_{1}\ensuremath{\simeq}0.549$, showing a direct phase transition. In the finite-size DMRG calculation on the cylinder geometry up to the cylinder width ${L}_{y}=10$, we find that around the same critical point the N\'eel and the stripe orders are strongly suppressed, which implies the absence of an intermediate phase. Both calculations identify that the stripe order comes with a first-order transition at ${J}_{2}/{J}_{1}\ensuremath{\simeq}0.549$. Our results indicate that unlike the spin-1/2 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ square model, quantum fluctuations in the spin-1 model may not be strong enough to stabilize an intermediate nonmagnetic phase.

DOI
10.1103/physrevb.97.184436

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We study the spin-1 Heisenberg model on the square lattice with the antiferromagnetic nearest-neighbor J1{J}_{1}J1​ and the next-nearest-neighbor J2{J}_{2}J2​ couplings by using the infinite projected entangled-pair state (iPEPS) ansatz and the density matrix renormalization group (DMRG) calculation. The iPEPS simulation, which studies the model directly in the thermodynamic limit, finds a crossing of the ground state from the N'eel magnetic state to the stripe magnetic state at J2/J1\ensuremath≃0.549{J}_{2}/{J}_{1}\ensuremath{\simeq}0.549J2​/J1​\ensuremath≃0.549, showing a direct phase transition. In the finite-size DMRG calculation on the cylinder geometry up to the cylinder width Ly=10{L}_{y}=10Ly​=10, we find that around the same critical point the N'eel and the stripe orders are strongly suppressed, which implies the absence of an intermediate phase. Both calculations identify that the stripe order comes with a first-order transition at J2/J1\ensuremath≃0.549{J}_{2}/{J}_{1}\ensuremath{\simeq}0.549J2​/J1​\ensuremath≃0.549. Our results indicate that unlike the spin-1/2 J1\ensuremath-J2{J}_{1}\text{\ensuremath{-}}{J}_{2}J1​\ensuremath-J2​ square model, quantum fluctuations in the spin-1 model may not be strong enough to stabilize an intermediate nonmagnetic phase.
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The U(1)U(1)U(1)-symmetric iPEPS study of the spin-1/21/21/2 square J1J_{1}J1​-J2J_{2}J2​ Heisenberg model
We develop an improved variant of U(1)U(1)U(1)-symmetric infinite projected entangled-pair states (iPEPS) ansatz to investigate the ground state phase diagram of the spin-1/21/21/2 square J1J_{1}J1​-J2J_{2}J2​ Heisenberg model. In order to improve the accuracy of the ansatz, we discuss a simple strategy to select automatically relevant symmetric sectors and also introduce an optimization method to treat second-neighbor interactions more efficiently. We show that variational ground-state energies of the model obtained by the U(1)U(1)U(1)-symmetric iPEPS ansatz (for a fixed bond dimension DDD) set a better upper bound, improving previous tensor-network-based results. By studying N\'{e}el order parameter and correlation function in the large-DDD limit, we find that a deconfined quantum-critical point occurs at J2c1=0.530(5)J^{c_1}_{2}=0.530(5)J2c1​​=0.530(5), where the correlation length of the system diverges as ξ∼D1.2\xi \sim D^{1.2}ξ∼D1.2. The estimated critical anomalous exponents ηs=0.65(5)\eta_{s}=0.65(5)ηs​=0.65(5) and ηd=1.9(1)\eta_{d}=1.9(1)ηd​=1.9(1) for spin and dimer correlations respectively show strong deviation from those of the well-known J\mathcal{J}J-Q\mathcal{Q}Q model, suggesting possibly a different universality class. The pattern of local bond energy for the intermediate phase is compatible with the columnar valence bond solid (VBS) state, with a quite competitive variational ground-state energy in comparison with plaquette VBS one predicted by the density matrix renormalization group. We show that the associated VBS order parameter first monotonically increases with J2J_2J2​ and finally a first-order quantum phase transition takes place at J2c2=0.610(3)J^{c_2}_{2}=0.610(3)J2c2​​=0.610(3) to the conventional Stripe phase. We compare our results with earlier DMRG and PEPS studies and suggest future directions for resolving remaining issues.
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The recent progress in the optimization of two-dimensional tensor networks [H.-J. Liao, J.-G. Liu, L. Wang, and T. Xiang, Phys. Rev. X 9, 031041 (2019)] based on automatic differentiation opened the way towards precise and fast optimization of such states and, in particular, infinite projected entangled-pair states (iPEPS) that constitute a generic-purpose Ansatz for lattice problems governed by local Hamiltonians. In this work, we perform an extensive study of a paradigmatic model of frustrated magnetism, the J_1-J_2 J 1 − J 2 Heisenberg antiferromagnet on the square lattice. By using advances in both optimization and subsequent data analysis, through finite correlation-length scaling, we report accurate estimations of the magnetization curve in the N'eel phase for J_2/J_1 \le 0.45 J 2 / J 1 ≤ 0.45 . The unrestricted iPEPS simulations reveal an U(1) U ( 1 ) symmetric structure, which we identify and impose on tensors, resulting in a clean and consistent picture of antiferromagnetic order vanishing at the phase transition with a quantum paramagnet at J_2/J_1 \approx 0.46(1) J 2 / J 1 ≈ 0.46 ( 1 ) . The present methodology can be extended beyond this model to study generic order-to-disorder transitions in magnetic systems.
The nature of quantum spin liquids is studied for the spin-1/21/21/2 antiferromagnetic Heisenberg model on a square lattice containing exchange interactions between nearest-neighbor sites, J1J_1J1​, and those between next-nearest-neighbor sites, J2J_2J2​. We perform variational Monte Carlo simulations together with the quantum-number-projection technique and clarify the phase diagram in the ground state together with its excitation spectra. We obtain the nonmagnetic phase in the region 0.4<J2/J1≤0.60.4< J_2/J_1\le 0.60.4<J2​/J1​≤0.6 sandwiched by the staggered and stripe antiferromagnetic (AF) phases. Our direct calculations of the spin gap support the notion that the triplet excitation from the singlet ground state is gapless in the range of 0.4<J2/J1≤0.50.4 < J_2/J_1 \le 0.50.4<J2​/J1​≤0.5, while the gapped valence-bond-crystal (VBC) phase is stabilized for 0.5<J2/J1≤0.60.5 < J_2/J_1 \le 0.60.5<J2​/J1​≤0.6. The VBC order is likely to have the columnar symmetry with a spontaneous symmetry breaking of the C4vC_{4v}C4v​ symmetry. The power-law behaviors of the spin-spin and dimer-dimer correlation functions in the gapless region are consistent with the emergence of the algebraic quantum-spin-liquid phase (critical phase). The exponent of the spin correlation ⟨S(0)S(r)⟩∝1/rz+η\langle S(0)S(r)\rangle \propto 1/r^{z+η}⟨S(0)S(r)⟩∝1/rz+η at a long distance rrr appears to increase from z+η∼1z+η\sim 1z+η∼1 at J2/J1∼0.4J_2/J_1\sim0.4J2​/J1​∼0.4 toward the continuous transition to the VBC phase at J1/J1∼0.5J_1/J_1\sim0.5J1​/J1​∼0.5. Our results, however, do not fully exclude the possibility of a direct quantum transition between the staggered AF and VBC phases with a wide critical region and deconfined criticality.