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arXiv:2204.04074 · Physical review. B./Physical review. B

Spin functional renormalization group for dimerized quantum spin systems

Andreas Rückriegel, Jonas Arnold, Raphael Goll, Peter Kopietz

Published Jun 14, 2022• 10 citations
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Abstract

We investigate dimerized quantum spin systems using the spin functional renormalization group approach proposed by Krieg and Kopietz [Phys. Rev. B 99, 060403(R) (2019)] which directly focuses on the physical spin correlation functions and avoids the representation of the spins in terms of fermionic or bosonic auxiliary operators. Starting from decoupled dimers as initial condition for the renormalization group flow equations, we obtain the spectrum of the triplet excitations as well as the magnetization in the quantum paramagnetic, ferromagnetic, and thermally disordered phases at all temperatures. Moreover, we compute the full phase diagram of a weakly coupled dimerized spin system in three dimensions, including the correct mean-field critical exponents at the two quantum critical points.

DOI
10.1103/physrevb.105.224406

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We investigate dimerized quantum spin systems using the spin functional renormalization group approach proposed by Krieg and Kopietz [Phys. Rev. B 99, 060403(R) (2019)] which directly focuses on the physical spin correlation functions and avoids the representation of the spins in terms of fermionic or bosonic auxiliary operators. Starting from decoupled dimers as initial condition for the renormalization group flow equations, we obtain the spectrum of the triplet excitations as well as the magnetization in the quantum paramagnetic, ferromagnetic, and thermally disordered phases at all temperatures. Moreover, we compute the full phase diagram of a weakly coupled dimerized spin system in three dimensions, including the correct mean-field critical exponents at the two quantum critical points.
We use the spin functional renormalization group recently developed by two of us [Krieg and Kopietz, Phys. Rev. B 99, 060403(R) (2019)] to calculate the magnetization M(H,T)M(H,T)M(H,T) and the damping of magnons due to classical longitudinal fluctuations of quantum Heisenberg ferromagnets. In order to guarantee that for vanishing magnetic field $H\ensuremath{\rightarrow}0$, the magnon spectrum is gapless when the spin rotational invariance is spontaneously broken, we use a Ward identity to express the magnon self-energy in terms of the magnetization. In two dimensions, our approach correctly predicts the absence of long-range magnetic order for H=0H=0H=0 at finite temperature TTT. The magnon spectrum then exhibits a gap from which we obtain the transverse correlation length. We also calculate the wave-function renormalization factor of the magnons. As a mathematical byproduct, we derive a recursive form of the generalized Wick theorem for spin operators in frequency space which facilitates the calculation of arbitrary time-ordered connected correlation functions of an isolated spin in a magnetic field.
This thesis is concerned with the investigation of static and dynamic properties of quantum Heisenberg paramagnets in the absence of a magnetic field and therefore for vanishing magnetization. For this purpose a new formulation of the spin functional renormalization group (SFRG) is employed. The first manifestations of the SFRG were developed by Krieg and Kopietz, motivated by the FRG approach to ordinary field theories and the older works of Vaks, Larkin and Pikin on diagrammatic methods for spin operators. The main idea is to study quantum spin systems by considering the evolution of correlation functions under a continuous deformation of the interaction between magnetic moments, starting from a solvable limit. This leads to nonperturbative results for quantities like the spin-spin correlation function. After a basic introduction to the phenomena and concomitant problems discussed in this thesis, a detailed description of the SFRG method in its initial formulation is given in the second chapter. We start with the generating functional of connected imaginary-time spin-correlation functions GΛ [h], for which an exact flow equation is derived. A particular issue, already pointed out by Krieg and Kopietz, arises here, namely the singular non-interacting limit of its subtracted Legendre transform ΓΛ [m]. As a consequence the initial condition of that functional does not have a proper series expansion in powers of m. This prevents us from working directly within a pure one-particle irreducible (1-PI) parametrization of the correlation functions, as is often done in the context of field theories. Thus motivated, we develop a workaround explicitly tailored to paramagnets, which provides us with a functional that has a well-behaved Legendre transform. The new approach is based on a different treatment of fluctuations at zero and finite frequencies, analogous to a previous hybrid formulation for the symmetry-broken phase. Certain properties, considered to be highly relevant for isotropic paramagnets, as well as previous observations, already made in the study of simpler spin systems like the Ising model, serve as additional justifications for choosing this construction. In the third chapter our new method is assessed by calculating the dynamic susceptibility G(k, iω) and thus the dynamic structure factor S(k, ω) in the symmetric phase. For this purpose an approximate integral equation for the dynamic polarization function Π̃(k, iω) was derived. This equation results from a truncation of the hierarchy of flow equations and contains static quantities, that are assumed to be known from another source. Our first application is the high-temperature limit T → ∞ in d ≤ 3 dimensions. Salient features, believed to be part of the spin dynamics in isotropic Heisenberg magnets are also exhibited by our solution, like (anomalous) diffusion in a suitable hydrodynamic limit. Moreover we obtain the same order of magnitude for the diffusion coefficient D as in experiments and other theoretical calculations. Other aspects do not entirely agree with previous approaches. Afterwards we continue by investigating systems close to the critical point Tc. Dynamic scaling forms for Π̃(k, iω) and S(k, ω), which, like spin diffusion, are postulated on the basis of quite general physical arguments, are reproduced. Agreement of the line-shapes 2with neutron scattering experiments at T = Tc is found to be satisfying, with deviations for ω → 0, that may be attributed to the simplicity of the approximation, like at infinite temperature. Finally, we focus our attention on the thermodynamic properties of isotropic Heisenberg paramagnets by calculating the static susceptibility G(k). For this purpose we employ simple truncation schemes of the flow equations for the static self-energy ΣΛ (k) and four-spin vertex ΓΛ , together with a basic ansatz for the dynamic polarization Π̃(k, iω) in quantum systems. As a result we obtain transition temperatures Tc of three-dimensional nonfrustrated magnets within an accuracy of 5 percent compared to established benchmark values from Quantum Monte Carlo and high temperature expansion series. We conclude this chapter by giving an outlook on the application of our method to frustrated systems, which may require a combined non-trivial calculation of static and dynamic properties.
We use the functional renormalization approach for quantum spin systems developed by Krieg and Kopietz [Phys. Rev. B 99, 060403(R) (2019)] to calculate the spin-spin correlation function $G(\mathbit{k},\ensuremath{\omega})$ of quantum Heisenberg magnets at infinite temperature. For small wave vectors $\mathbit{k}$ and frequencies $\ensuremath{\omega}$ we find that $G(\mathbit{k},\ensuremath{\omega})$ assumes in dimensions d>2d>2d>2 the diffusive form predicted by hydrodynamics. In three dimensions our result for the spin-diffusion coefficient D\mathcal{D}D is somewhat smaller than previous theoretical predictions based on the extrapolation of the short-time expansion, but is still about 3030%30 larger than the measured high-temperature value of D\mathcal{D}D in the Heisenberg ferromagnet ${\mathrm{Rb}}_{2}{\mathrm{CuBr}}_{4}\ifmmode\cdot\else\textperiodcentered\fi{}2{\mathrm{H}}_{2}\mathrm{O}$. In reduced dimensions $d\ensuremath{\le}2$ we find superdiffusion characterized by a frequency-dependent complex spin-diffusion coefficient $\mathcal{D}(\ensuremath{\omega})$ which diverges logarithmically in d=2d=2d=2, and as a power-law $\mathcal{D}(\ensuremath{\omega})\ensuremath{\propto}{\ensuremath{\omega}}^{\ensuremath{-}1/3}$ in d=1d=1d=1. Our result in one dimension implies scaling with dynamical exponent z=3/2z=3/2z=3/2, in agreement with recent calculations for integrable spin chains. Our approach is not restricted to the hydrodynamic regime and allows us to calculate the dynamic structure factor $S(\mathbit{k},\ensuremath{\omega})$ for all wave vectors. We show how the short-wavelength behavior of $S(\mathbit{k},\ensuremath{\omega})$ at high temperatures reflects the relative sign and strength of competing exchange interactions.
We present a simple method, combining the density-matrix renormalization-group algorithm with finite-size scaling, which permits the study of critical behavior in quantum spin chains. Spin moments and dimerization are induced by boundary conditions at the chain ends and these exhibit power-law decay at critical points. Results are presented for the spin-1/21/21/2 Heisenberg antiferromagnet; an analytic calculation shows that logarithmic corrections to scaling can sometimes be avoided. We also examine the spin-1 chain at the critical point separating the Haldane gap and dimerized phases. Exponents for the dimer-dimer and the spin-spin correlation functions are consistent with results obtained from bosonization.
In the study of strongly interacting condensed-matter systems controlled microscopic theories hold a key position. Spin-wave theory, large-N expansion, and epsilonepsilonepsilon-expansion are some of the few successful cornerstones. In this doctoral thesis work, we have developed a novel large-ddd expansion method, ddd being the spatial dimension, to study model Hamiltonians hosting a quantum phase transition between a paramagnet and a magnetically ordered phase. A highlight of this technique is that it can consistently describe the entire phase diagram of the above mentioned models, including the quantum critical point. Note that most analytical techniques either efficiently describe only one of the phases or suffer from divergences near the critical point. The idea of large-ddd formalism is that in this limit, non-local fluctuations become unimportant and that a suitable product state delivers exact expectation values for local observables, with corrections being suppressed in powers of 1/d1/d1/d. It turns out that, due to momentum summation properties of the interaction structure factor, all diagrams are suppressed in powers of 1/d1/d1/d leading to an analytic expansion. We have demonstrated this method in two important systems namely, the coupled-dimer magnets and the transverse-field Ising model. Coupled-dimer magnets are Heisenberg spin systems with two spins, coupled by intra-dimer antiferromagnetic interaction, per crystallographic unit cell (dimer). In turn, spins from neighboring dimers interact via some inter-dimer interaction. A quantum paramagnet is realized for a dominant intra-dimer interaction, while a magnetically ordered phase exists for a dominant (or of the same order as intra-dimer interaction) inter-dimer interaction. These two phases are connected by a quantum phase transition, which is in the Heisenberg O(3) universality class. Microscopic analytical theories to study such systems have been restricted to either only one of the phases or involve uncontrolled approximations. Using a non-linear bond-operator theory for spins with S=1/21/21/2, we have calculated the 1/d1/d1/d expansion of static and dynamic observables for coupled dimers on a hypercubic lattice at zero temperature. Analyticity of the 1/d1/d1/d expansion, even at the critical point, is ensured by correctly identifying suitable observables using the mean-field critical exponents. This method yields gapless excitation modes in the continuous symmetry broken phase, as required by Goldstone\'s theorem. In appropriate limits, our results match with perturbation expansion in small ratio of inter-dimer and intra-dimer coupling, performed using continuous unitary transformations, as well as the spin-wave theory for spin-1/21/21/2 in arbitrary dimensions. We also discuss the Brueckner approach, which relies on small quasiparticle density, and derive the same 1/d1/d1/d expansion for the dispersion relation in the disordered phase. Another success of our work is in describing the amplitude (Higgs) mode in coupled-dimer magnets. Our novel method establishes the popular bond-operator theory as a controlled approach. In d=2d=2d=2, the results from our calculations are in qualitative agreement with the quantum Monte Carlo study of the square-lattice bilayer Heisenberg AF spin-1/21/21/2 model. In particular, our results are useful to identify the amplitude (Higgs) mode in the QMC data. The ideas of large-ddd are also successfully applied to the transverse-field Ising model on a hypercubic lattice. Similar to bond operators, we have introduced auxiliary Bosonsic operators to set up our method in this case. We have also discussed briefly the bilayer Kitaev model, constructed by antiferromagnetically coupling two layers of the Kitaev model on a honeycomb lattice. In this case, we investigate the dimer quantum paramagnetic phase, realized in the strong inter-layer coupling limit. Using bond-operator theory, we calculate the mode dispersion in this phase, within the harmonic approximation. We also conjecture a zero-temperature phase diagram for this model.
In frustrated magnetism, making a stringent connection between microscopic spin models and macroscopic properties of spin liquids remains an important challenge. A recent step towards this goal has been the development of the pseudofermion functional renormalization group approach (pf-FRG) which, building on a fermionic parton construction, enables the numerical detection of the onset of spin liquid states as temperature is lowered. In this work, focusing on the SU(N)\mathrm{SU}(N)SU(N) Heisenberg model at large NNN, we extend this approach in a way that allows us to directly enter the low-temperature spin liquid phase, and to probe its character. Our approach proceeds in momentum space, making it possible to keep the truncation minimalistic, while also avoiding the bias introduced by an explicit decoupling of the fermionic parton interactions into a given channel. We benchmark our findings against exact mean-field results in the large-NNN limit, and show that even without prior knowledge the pf-FRG approach identifies the correct mean-field decoupling channel. On a technical level, we introduce an alternative finite temperature regularization scheme that is necessitated to access the spin liquid ordered phase. In a companion paper [Buessen et al., Phys. Rev. B 97, 064415 (2018)] we present a different set of modifications of the pf-FRG scheme that allow us to study SU(N)\mathrm{SU}(N)SU(N) Heisenberg models (using a real-space RG approach) for arbitrary values of NNN, albeit only up to the phase transition towards spin liquid physics.