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Spin functional renormalization group analysis of quantum Heisenberg ferromagnets

Raphael Goll

Published Jan 1, 2022• 0 citations
Publisher

Abstract

In this thesis we investigate the thermodynamic and dynamic properties of the D-dimensional quantum Heisenberg ferromagnet within the spin functional renormalization group (FRG); a formalism describing the evolution of the system’s observables as the magnetic exchange inter-action is artificially deformed. Following an introduction providing a self contained summary of the conceptual and mathematical background, we present the spin FRG as developed by Krieg and Kopietz in references [1] and [2] in chapter two. Thereto, the generating functional of the imaginary time-spin correlation functions and its exact flow equation describing the deformation process of the exchange interaction are introduced. In addition, it is highlighted that - in contrast to conventional field-theoretic FRG approaches - the related Legendre trans-formed functional cannot be defined if the exchange interaction is initially switched off. Next, we show that this limitation can be circumvented within an alternativ hybrid approach, which treats transverse and longitudinal spin fluctuations differently. The relevant functionals are introduced and the relations of the corresponding functional Taylor coefficients with the spin correlation functions are discussed. Lastly, the associated flow equations are derived and the possibility of explicit or spontaneous symmetry breaking is taken into account. In chapter three, we benchmark the hybrid formalism against a calculation of the thermo-dynamic properties of the one and two-dimensional Heisenberg model at low temperatures T and finite magnetic field H. For this purpose, we devise an anisotropic deformation scheme of the exchange interaction which allows for a controlled truncation of the infinite hierarchy of FRG flow equations. Thereby, contact with mean-field and spin-wave theory is made and the violation of the Mermin-Wagner theorem is discussed. To fulfill the latter, the truncation scheme is then complemented by a Ward identity relating the transverse self-energy and the magnetization. The resulting magnetization M (H, T ) and isothermal susceptibility χ(H, T ) are in quantitative agreement with the literature and the established behavior of the transverse correlation length and the zero-field susceptibility close to the critical point is qualitatively reproduced in the limit H → 0. Finally, we investigate the longitudinal dynamics at low temperatures. To this end, the hierarchy of flow equations is solved within the same anisotropic deformation scheme complemented by an expansion in the inverse interaction range, and the resulting longitudinal dynamic structure factor is calculated within a low-momentum expansion. In D = 3, the large phase space accessible for the decay into transverse magnons yields only a broad hump centered at zero frequency whose width scales linearly in momentum. In contrast, at low temperatures and in a certain range of magnetic fields, a well-defined quasiparticle peak with linear dispersion emerges in D ≤ 2, which we identify as zero-magnon sound. Sound velocity and damping are discussed as a function of temperature and magnetic field, and the relevant momentum-frequency window is estimated and compared to the hydrodynamic second-magnon regime.

DOI
10.21248/gups.66885

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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 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.
In this thesis, the functional renormalization group (FRG) method is applied to quantum spin chains. FRG is a well-known method in the treatment of correlated fermion systems, but the method has been applied to spin systems only recently[1]. The method has been used, however, only as a qualitative tool to find phase boundaries for frustrated spin systems with multiple competing interactions. The main goal of this work is to critically assess the general accuracy of the method by studying toy models, for which quantitative comparison with exact results is possible. After a full derivation of the flow equations for spin systems, the numerical solution of the resulting non-linear system of differential equations is presented. It is shown that in the antiferromagnetic two-site Heisenberg model, FRG can reproduce some known properties of the singlet state but the ground state energy, for example, disagrees with the exact result by 36 %. In addition, the quasiparticle self-energy and dynamic spin-spin correlation functions are of an incorrect form. Unphysical fluctuations in the particle number are shown to be large. In the antiferromagnetic Heisenberg chain, it is shown that whereas the use of properly truncated flow equations regularizes the unphysical antiferromagnetic instability, the resulting ground state is disordered and not critical as expected. [1] J. Reuther and P. Wölfle, Phys. Rev. B 81, 144410 (2010).
In this thesis, we study two recently developed methods to tackle low-dimensional correlated quantum systems.\\In the first part, we benchmark the extension of the functional renormalization group to spin-systems. We apply it to the two-dimensional XXZ model and reproduce the prediction for the phase transition from planar to axial ordering at the isotropic point. The interpretation of the critical scale (where the flow of the susceptibility diverges) as the critical temperature of the system can be questioned, since it yields only good results in the Ising limit. Especially near the isotropic point, this interpretation becomes unsatisfactory as the Mermin-Wagner theorem is violated. We discuss several problems of the method and conclude that it should only be used to explore phase diagrams. In the second part, we extend previous works to two-level quantum dots in the Coulomb blockade regime with special hopping matrices in nonequilibrium, e.g., the Kondo model, to the generic form, including ferromagnetic leads, spin-orbit interactions etc. The dot and the transport observables are determined completely by the hybridization matrix, leading to one of our major results that all these models can be mapped to the Anderson impurity model with ferromagnetic leads. We investigate this model with a well-controlled real-time renormalization group approach and justify the results of a poor man's scaling analysis. By using a singular value decomposition of the tunneling matrix we can rotate the model to the anisotropic Kondo model in the high-energy regime to solve the flow equations analytically. With this, we calculate the stationary dot magnetization and the current. The minimum of the magnetization is found to be an ellipsoid as function of the magnetic field, where the stretching factor determines the distance to the scaling limit. Afterwards, we consider the special case of two external reservoirs and the system being in the scaling limit and discuss the golden-rule as well as the quantum-interference regime in detail. We can give a recipe how to extract the effective model parameters by measuring the current through the dot. Finally, the case of more than two dot-levels is discussed, where our approach becomes inapplicable.
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing us to capture their scale-dependent nature. The functional renormalization group (FRG) allows us to continuously evolve a microscopic model action to an effective low-energy action as a function of decreasing energy scales via an exact functional flow equation, which is then approximated by some truncation scheme to facilitate computation. Here, we report on our implementation of multiloop FRG, an extended truncation scheme recently developed for electronic FRG calculations, within the pseudofermion functional renormalization group (pf-FRG) framework for interacting quantum spin systems. We discuss in detail the conceptual intricacies of the flow equations generated by the multiloop truncation, as well as essential refinements to the integration scheme for the resulting integrodifferential equations. To benchmark our approach, we analyze antiferromagnetic Heisenberg models on the pyrochlore, simple cubic, and face-centered cubic lattice, discussing the convergence of physical observables for higher-loop calculations and comparing with existing results where available. Combined, these methodological refinements systematically improve the pf-FRG approach to one of the numerical tools of choice when exploring frustrated quantum magnetism in higher spatial dimensions.
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.