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arXiv:cond-mat/0208371

Projected BCS Wave Functions for Low Dimensional Frustrated Spin Systems

Luca Capriotti, Federico Becca, Alberto Parola, Sandro Sorella

Published Aug 19, 2002• 0 citations
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Abstract

Twenty-five years after the first proposal, the question whether the ground state of a frustrated spin-half system is well described by a spin-liquid Resonating Valence Bond (RVB) wave function is still controversial. A physically transparent representation of a RVB state can be obtained in fermionic representation with a standard BCS-type pairing wave function, working in the subspace with fixed number of electrons and no double occupancies. In this work, we show that, using this variational wave function with a careful parameterization of the pairing function, it is possible to obtain an extremely accurate {\em ansatz} for the ground state of the Heisenberg antiferromagnet with next-nearest neighbors interactions ($J_{1}{-}J_{2}$ model) in the regime of strong frustration. Indeed, in the spin-half realization of this model, it is known that the combined effect of frustration and zero-point motion interferes with the mechanism of spontaneously broken symmetry, giving rise to a non-magnetic phase of purely quantum-mechanical nature ($J_2/J_1\simeq 0.5$). This wave function is proposed to represent the generic spin-half RVB ground state in spin liquids.

DOI
10.48550/arxiv.cond-mat/0208371

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Twenty-five years after the first proposal, the question whether the ground state of a frustrated spin-half system is well described by a spin-liquid Resonating Valence Bond (RVB) wave function is still controversial. A physically transparent representation of a RVB state can be obtained in fermionic representation with a standard BCS-type pairing wave function, working in the subspace with fixed number of electrons and no double occupancies. In this work, we show that, using this variational wave function with a careful parameterization of the pairing function, it is possible to obtain an extremely accurate {\em ansatz} for the ground state of the Heisenberg antiferromagnet with next-nearest neighbors interactions (J1−J2J_{1}{-}J_{2}J1​−J2​ model) in the regime of strong frustration. Indeed, in the spin-half realization of this model, it is known that the combined effect of frustration and zero-point motion interferes with the mechanism of spontaneously broken symmetry, giving rise to a non-magnetic phase of purely quantum-mechanical nature (J2/J1≃0.5J_2/J_1\simeq 0.5J2​/J1​≃0.5). This wave function is proposed to represent the generic spin-half RVB ground state in spin liquids.
The resonating-valence-bond (RVB) theory for two-dimensional quantum antiferromagnets is shown to be the correct paradigm for large enough "quantum frustration." This scenario, proposed a long time ago but never confirmed by microscopic calculations, is strongly supported by a new type of variational wave function, which is extremely close to the exact ground state of the J(1)-J(2) Heisenberg model for 0.4 less than approximately J(2)/J(1) less than approximately 0.5. This wave function is proposed to represent the generic spin-half RVB ground state in spin liquids.
We study the ground-state phase diagram of the spin-1/21/21/2${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model on the square lattice with an accurate bosonic resonating-valence-bond (RVB) wave function. In contrast to the RVB ansatz based on Schwinger fermions, the representation based on Schwinger bosons, supplemented by a variational Monte Carlo technique enforcing the exact projection onto the physical subspace, is able to describe a fully gapped spin liquid in the strongly frustrated regime. In particular, a fully symmetric Z2{Z}_{2}Z2​ spin liquid is stable between two antiferromagnetic phases; a continuous transition at J2=0.4J1{J}_{2}=0.4{J}_{1}J2​=0.4J1​, when the Marshall sign rule begins to be essentially violated, and a first-order transition around J2=0.6J1{J}_{2}=0.6{J}_{1}J2​=0.6J1​ are present. Most importantly, the triplet gap is found to have a nonmonotonic behavior, reaching a maximum around J2=0.51J1{J}_{2}=0.51{J}_{1}J2​=0.51J1​, when the lowest spinon excitation moves from the $\ensuremath{\Gamma}$ to the MMM point, i.e., $k=(\ensuremath{\pi},0)$.
The frustrated Heisenberg ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model on a square lattice is numerically investigated by variational Monte Carlo simulations. We propose an antiferromagnetic fermion resonating-valence-bond (AF-fRVB) state that has the ability to examine the entire phase diagram in the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model. Two phase transition points, the second order around J2/J1=0.45{J}_{2}/{J}_{1}=0.45J2​/J1​=0.45 and the first order around J2/J1=0.6{J}_{2}/{J}_{1}=0.6J2​/J1​=0.6, can be extracted more clearly than the conventional bosonic RVB state. At the maximally frustrated point (J2/J1=0.5)({J}_{2}/{J}_{1}=0.5)(J2​/J1​=0.5), the AF-fRVB state shows the variational ground-state energy in the thermodynamic limit very close to the one estimated by the projected entangled pair state at the largest bond dimension available. On the other hand, in the frustrated regime $0.4\ensuremath{\lesssim}{J}_{2}/{J}_{1}\ensuremath{\le}0.5$, AF-fRVB states with exts2\text{ext}\phantom{\rule{0.16em}{0ex}}{s}_{2}exts2​ (using the terminology in the field of iron-based superconductors) and dxy{d}_{xy}dxy​ pairing symmetries are degenerate in the thermodynamic limit, implying the existence of gapless Dirac excitations in the spinon spectrum.
The spin-1=2 Heisenberg model on the pyrochlore lattice is an iconic frustrated three-dimensional spin system with a rich phase diagram.Besides hosting several ordered phases, the model is debated to possess a spin-liquid ground state when only nearest-neighbor antiferromagnetic interactions are present.Here, we contest this hypothesis with an extensive numerical investigation using both exact diagonalization and complementary variational techniques.Specifically, we employ a resonating-valence-bond-like, manyvariable, Monte Carlo ansatz and convolutional neural network quantum states for (variational) calculations with up to 4 × 4 3 and 4 × 3 3 spins, respectively.We demonstrate that these techniques yield consistent results, allowing for reliable extrapolations to the thermodynamic limit.We consider the ðλ; j 2 =j 1 Þ parameter space, with j 2 , j 1 being nearest and next-to-nearest neighbor interactions and λ the XXZ interaction anisotropy.Our main results are (1) the determination of the phase transition between the putative spin-liquid phase and the neighboring magnetically ordered phase and (2) a careful characterization of the ground state in terms of symmetry-breaking tendencies.We find clear indications of a dimer order with spontaneously broken inversion and rotational symmetry, calling the scenario of a featureless quantum spin liquid into question.Our work showcases how many-variable variational techniques can be used to make progress in answering challenging questions about three-dimensional frustrated quantum magnets.
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.
The highly frustrated spin-12\frac{1}{2}21​ quantum Heisenberg model with both nearest (J1{J}_{1}J1​) and next-nearest (J2{J}_{2}J2​) neighbor exchange interactions is revisited by using an extended variational space of projected wave functions that are optimized with state-of-the-art methods. Competition between modulated valence-bond crystals (VBCs) proposed in the literature and the Dirac spin liquid (DSL) is investigated. We find that the addition of a small ferromagnetic next-nearest-neighbor exchange coupling ∣J2∣>0.09J1|{J}_{2}|>0.09{J}_{1}∣J2​∣>0.09J1​ leads to stabilization of a 36-site unit cell VBC, although the DSL remains a local minimum of the variational parameter landscape. This implies that the VBC is not trivially connected to the DSL; instead it possesses a nontrivial flux pattern and large dimerization.