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arXiv:2208.05741 · Physical review. B./Physical review. B

Spin-functional renormalization group for the J1J2J3 quantum Heisenberg model

Dmytro Tarasevych, Andreas Rückriegel, Savio Keupert, Vasilios Mitsiioannou, Peter Kopietz

Published Nov 14, 2022• 9 citations
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Abstract

We use our recently developed functional renormalization group (FRG) approach for quantum spin systems to investigate the phase diagram of the frustrated ${J}_{1}{J}_{2}{J}_{3}$ quantum Heisenberg model on a cubic lattice. From a simple truncation of the hierarchy of FRG flow equations for the irreducible spin vertices, which retains only static spin fluctuations and neglects the flow of the four-spin interaction, we can estimate the critical temperature with a similar accuracy as the numerically more expensive pseudofermion FRG. In the regime where the ground state exhibits either ferromagnetic or antiferromagnetic order, a more sophisticated truncation including the renormalization of the four-spin interaction as well as dynamic spin fluctuations reveals the underlying renormalization group fixed point and yields critical temperatures which deviate from the accepted values by at most $4%$.

DOI
10.1103/physrevb.106.174412

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We use our recently developed functional renormalization group (FRG) approach for quantum spin systems to investigate the phase diagram of the frustrated J1J2J3{J}_{1}{J}_{2}{J}_{3}J1​J2​J3​ quantum Heisenberg model on a cubic lattice. From a simple truncation of the hierarchy of FRG flow equations for the irreducible spin vertices, which retains only static spin fluctuations and neglects the flow of the four-spin interaction, we can estimate the critical temperature with a similar accuracy as the numerically more expensive pseudofermion FRG. In the regime where the ground state exhibits either ferromagnetic or antiferromagnetic order, a more sophisticated truncation including the renormalization of the four-spin interaction as well as dynamic spin fluctuations reveals the underlying renormalization group fixed point and yields critical temperatures which deviate from the accepted values by at most 44%4.
The pseudofermion functional renormalization group (pf-FRG) is one of the few numerical approaches that has been demonstrated to quantitatively determine the ordering tendencies of frustrated quantum magnets in two and three spatial dimensions. The approach, however, relies on a number of presumptions and approximations, in particular the choice of pseudofermion decomposition and the truncation of an infinite number of flow equations to a finite set. Here we generalize the pf-FRG approach to SU(N)\mathrm{SU}(N)SU(N)-spin systems with arbitrary NNN and demonstrate that the scheme becomes exact in the large-NNN limit. Numerically solving the generalized real-space renormalization group equations for arbitrary NNN, we can make a stringent connection between the physically most significant case of SU(2) spins and more accessible SU(N)\mathrm{SU}(N)SU(N) models. In a case study of the square-lattice SU(N)\mathrm{SU}(N)SU(N) Heisenberg antiferromagnet, we explicitly demonstrate that the generalized pf-FRG approach is capable of identifying the instability indicating the transition into a staggered flux spin liquid ground state in these models for large, but finite, values of NNN. In a companion paper [Roscher et al., Phys. Rev. B 97, 064416 (2018)] we formulate a momentum-space pf-FRG approach for SU(N)\mathrm{SU}(N)SU(N) spin models that allows us to explicitly study the large-NNN limit and access the low-temperature spin liquid phase.
We study the ground-state properties of the two-dimensional spin-1/2 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on a square lattice, within diagrammatic approximations using an auxiliary-fermion formulation with exact projection. In a first approximation, we assume a phenomenological width of the pseudofermion spectral function to calculate the magnetization, susceptibilities, and the spin-correlation length within random-phase approximation, demonstrating the appearance of a paramagnetic phase between the N\'eel-ordered and Collinear-ordered phases, at sufficiently large pseudofermion damping. Second we use a functional renormalization-group formulation. We find that the conventional truncation scheme omitting three-particle and higher-order vertices is not sufficient. We therefore include self-energy renormalizations in the single-scale propagator as recently proposed by Katanin, to preserve Ward identities in a better way. We find N\'eel order at $g={J}_{2}/{J}_{1}\ensuremath{\lesssim}{g}_{\text{c}1}\ensuremath{\approx}0.4\dots{}0.45$ and Collinear order at $g\ensuremath{\gtrsim}{g}_{\text{c}2}\ensuremath{\approx}0.66\dots{}0.68$, which is in good agreement with results obtained by numerical studies. In the intervening quantum paramagnetic phase, we find enhanced columnar dimer and plaquette fluctuations of equal strength.
We develop a generalized pseudofermion functional renormalization group (PFFRG) approach that can be applied to arbitrary Heisenberg models with spins ranging from the quantum case S=1/2S=1/2S=1/2 to the classical limit $S\ensuremath{\rightarrow}\ensuremath{\infty}$. Within this framework, spins of magnitude SSS are realized by implementing M=2SM=2SM=2S copies of spin-1/2 degrees of freedom on each lattice site. We confirm that even without explicitly projecting onto the highest spin sector of the Hilbert space, ground states tend to select the largest possible local spin magnitude. This justifies the average treatment of the pseudofermion constraint in previous spin-1/2 PFFRG studies. We apply this method to the antiferromagnetic ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ honeycomb Heisenberg model with nearest-neighbor J1>0{J}_{1}>0J1​>0 and second-neighbor J2>0{J}_{2}>0J2​>0 interactions. Mapping out the phase diagram in the ${J}_{2}/{J}_{1}\text{\ensuremath{-}}S$ plane, we find that upon increasing SSS, quantum fluctuations are rapidly decreasing. In particular, already at S=1S=1S=1 we find no indication for a magnetically disordered phase. In the limit $S\ensuremath{\rightarrow}\ensuremath{\infty}$, the known phase diagram of the classical system is exactly reproduced. More generally, we prove that for $S\ensuremath{\rightarrow}\ensuremath{\infty}$ the PFFRG approach is identical to the Luttinger-Tisza method.
We use the spin functional renormalization group to investigate the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ quantum Heisenberg model on a square lattice. By incorporating sum rules associated with the fixed length of the spin operators as well as the nontrivial quantum dynamics implied by the spin algebra, we are able to compute the ground state phase diagram for arbitrary spin SSS, including the quantum paramagnetic phase at strong frustration. Our prediction for the extent of this paramagnetic region for S=1/2S=1/2S=1/2 agrees well with other approaches that are computationally more expensive. We find that the quantum paramagnetic phase disappears for $S\ensuremath{\gtrsim}5$ due to the suppression of quantum fluctuations with increasing SSS.
We implement the temperature flow scheme first proposed by Honerkamp and Salmhofer [Phys. Rev. B 64, 184516 (2001)] into the pseudo-Majorana functional renormalization group method for quantum spin systems. Since the renormalization group parameter in this approach is a physical quantity, the temperature TTT, the numerical efficiency increases significantly compared to more conventional renormalization group parameters, especially when computing finite-temperature phase diagrams. We first apply this method to determine the finite-temperature phase diagram of the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on the simple cubic lattice, where our findings support claims of a vanishingly small nonmagnetic phase around the high frustration point J2=0.25J1{J}_{2}=0.25{J}_{1}J2​=0.25J1​. Perhaps most importantly, we find the temperature flow scheme to be advantageous in detecting finite-temperature phase transitions as, by construction, a phase transition is never encountered at an artificial, unphysical cutoff parameter. Finally, we apply the temperature flow scheme to the dipolar XXZ model on the square lattice, where we find a rich phase diagram with a large nonmagnetic regime down to the lowest accessible temperatures. Wherever a comparison with error-controlled (quantum) Monte Carlo methods is applicable, we find excellent quantitative agreement with less than 55%5 deviation from the numerically exact results.
We employ a recently developed variant of the functional renormalization group method for spin systems, the so-called pseudo Majorana functional renormalization group, to investigate three-dimensional spin-1/2 Heisenberg models at finite temperatures. We study unfrustrated and frustrated Heisenberg systems on the simple cubic and pyrochlore lattices. Comparing our results with other quantum many-body techniques, we demonstrate a high quantitative accuracy of our method. Particularly, for the unfrustrated simple cubic lattice antiferromagnet ordering temperatures obtained from finite-size scaling of one-loop data deviate from error controlled quantum Monte Carlo results by ∼5%\sim5\%∼5% and we further confirm the established values for the critical exponent ν\nuν and the anomalous dimension η\etaη. As the PMFRG yields results in good agreement with QMC, but remains applicable when the system is frustrated, we next treat the pyrochlore Heisenberg antiferromagnet as a paradigmatic magnetically disordered system and find nearly perfect agreement of our two-loop static homogeneous susceptibility with other methods. We further investigate the broadening of pinch points in the spin structure factor as a result of quantum and thermal fluctuations and confirm a finite width in the extrapolated limit T→0T\rightarrow0T→0. While extensions towards higher loop orders ℓ\ellℓ seem to systematically improve our approach for magnetically disordered systems we also discuss subtleties when increasing ℓ\ellℓ in the presence of magnetic order. Overall, the pseudo Majorana functional renormalization group is established as a powerful many-body technique in quantum magnetism with a wealth of possible future applications.