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arXiv:cond-mat/9809013 · Journal of Applied Physics

Spin gap in low-dimensional Mott insulators with orbital degeneracy

Leonardo Guidoni, Giuseppe E. Santoro, Sandro Sorella, Alberto Parola, Erio Tosatti

Published Apr 15, 1999• 1 citation
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Abstract

We consider the exchanged Hamiltonian HST=−J∑〈rr′〉(2Sr⋅Sr′−12)(2Tr⋅Tr′−12), describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on equivalent bonds. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit. To investigate the ground state properties we use a Green’s Function Monte Carlo, calculating energy gaps and correlation functions, the latter through the forward walking technique. In one dimension we find that the ground state is a “crystal” of valence bond dimers. In two dimensions, the spin gap appears to remain finite in the thermodynamic limit, and, consistently, the staggered magnetization—signal of Néel long range order—seems to vanish. From the analysis of dimer–dimer correlation functions, however, we find no sign of a valance bond crystal. A spin liquid appears as a plausible scenario compatible with our findings.

DOI
10.1063/1.370241

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We consider the exchanged Hamiltonian HST=−J∑〈rr′〉(2Sr⋅Sr′−12)(2Tr⋅Tr′−12), describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on equivalent bonds. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit. To investigate the ground state properties we use a Green’s Function Monte Carlo, calculating energy gaps and correlation functions, the latter through the forward walking technique. In one dimension we find that the ground state is a “crystal” of valence bond dimers. In two dimensions, the spin gap appears to remain finite in the thermodynamic limit, and, consistently, the staggered magnetization—signal of Néel long range order—seems to vanish. From the analysis of dimer–dimer correlation functions, however, we find no sign of a valance bond crystal. A spin liquid appears as a plausible scenario compatible with our findings.
We consider an exchange model describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on the square lattice. The model is relevant for systems with orbital degeneracy and strong electron-vibron coupling in the large Hubbard repulsion limit, and is known to show a spin-Peierls-like dimerization in one dimension. In two dimensions we calculate energy gaps, susceptibilities, and correlation functions with a Green's function Monte Carlo method. We find a finite triplet and singlet gap, with no evidence of order of any kind. We conclude that the ground state is, most likely, a spin liquid of resonating valence bonds.
We investigate ground state properties of the half-filled staggered-flux Hubbard model on a square lattice. Energy gaps to charge and spin excitations and magnetic as well as dimer orders are calculated as a function of interaction strength U/t by means of a constrained-path quantum Monte Carlo method. It is found that the system is a semimetal at U/t≲5.6 and a Mott insulator, with long-range antiferromagnetic order, at U/t≳6.6. In the range 5.6≲U/t≲6.6, the ground state is a correlated insulator where both magnetic and dimer orders are absent. Furthermore, spin excitation in the intermediate phase appears to be gapless, and the measured spin-spin correlation function exhibits power-law decaying behavior. The data suggest that the nonmagnetic ground state is a possible candidate for the putative algebraic spin liquid.
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.
We study the spin-1/2 Heisenberg model on the square lattice with first- and second-neighbor antiferromagnetic interactions J(1) and J(2), which possesses a nonmagnetic region that has been debated for many years and might realize the interesting Z(2) spin liquid. We use the density matrix renormalization group approach with explicit implementation of SU(2) spin rotation symmetry and study the model accurately on open cylinders with different boundary conditions. With increasing J(2), we find a Néel phase and a plaquette valence-bond (PVB) phase with a finite spin gap. From the finite-size scaling of the magnetic order parameter, we estimate that the Néel order vanishes at J(2)/J(1)≃0.44. For 0.5<J(2)/J(1)<0.61, we find dimer correlations and PVB textures whose decay lengths grow strongly with increasing system width, consistent with a long-range PVB order in the two-dimensional limit. The dimer-dimer correlations reveal the s-wave character of the PVB order. For 0.44<J(2)/J(1)<0.5, spin order, dimer order, and spin gap are small on finite-size systems, which is consistent with a near-critical behavior. The critical exponents obtained from the finite-size spin and dimer correlations could be compatible with the deconfined criticality in this small region. We compare and contrast our results with earlier numerical studies.
We study the ground-state phase diagram of the spin-1/21/21/2 antiferromagnetic Heisenberg model on the square-kagome lattice using infinite projected entangled-pair states (iPEPS). By systematically varying the ratio of exchange couplings on triangular and square plaquettes, we establish a complete quantum phase diagram in the thermodynamic limit. In the intermediate-coupling regime, we identify four distinct nonmagnetic phases that are unambiguously characterized as valence-bond crystals (VBCs) by their symmetry-inequivalent patterns of strong and weak spin-spin correlations. These include a plaquette crossed-dimer VBC, a loop-six VBC stabilized around the isotropic point, a generalized pinwheel VBC with reduced rotational symmetry, and a decorated loop-six VBC proximate to ferrimagnetic order. We determine the phase boundaries using a combination of bond-resolved correlation functions, entanglement entropy, and magnetization. For transitions not accompanied by sharp entanglement signatures, we extract the spin gap from finite-field simulations, allowing us to distinguish gapped and gapless VBC phases. At larger coupling ratios, the system undergoes transitions into imperfect and perfect ferrimagnetic states. Our results resolve long-standing ambiguities in the square-kagome Heisenberg model and provide a quantitatively reliable reference for future theoretical and experimental studies of frustrated quantum magnets.
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