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arXiv:0803.3312

Diagrammatic approximations for the 2d quantum antiferromagnet: exact projection of auxiliary fermions

Brinckmann, Jan, Peter Woelfle

Published Mar 23, 2008• 0 citations
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Abstract

We present diagrammatic approximations to the spin dynamics of the 2d Heisenberg antiferromagnet for all temperatures, employing an auxiliary-fermion representation. The projection onto the physical subspace is effected by introducing an imaginary-valued chemical potential as proposed by Popov and Fedotov. The method requires that the fermion number at any lattice site is strictly conserved. We compare results obtained within a self-consistent approximation using two different auxiliary-particle projection schemes, (1) exact and (2) on average. Significant differences between the two are found at higher temperatures, whereas in the limit of zero temperature (approaching the magnetically ordered ground state) identical results emerge from (1) and (2), providing the qualitatively correct dynamical scaling behavior. An interpretation of these findings is given. We also present in some detail the derivation of the approximation, which goes far beyond mean-field theory and is formulated in terms of complex-valued spectral functions of auxiliary fermions.

DOI
10.48550/arxiv.0803.3312

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We present diagrammatic approximations to the spin dynamics of the 2d Heisenberg antiferromagnet for all temperatures, employing an auxiliary-fermion representation. The projection onto the physical subspace is effected by introducing an imaginary-valued chemical potential as proposed by Popov and Fedotov. The method requires that the fermion number at any lattice site is strictly conserved. We compare results obtained within a self-consistent approximation using two different auxiliary-particle projection schemes, (1) exact and (2) on average. Significant differences between the two are found at higher temperatures, whereas in the limit of zero temperature (approaching the magnetically ordered ground state) identical results emerge from (1) and (2), providing the qualitatively correct dynamical scaling behavior. An interpretation of these findings is given. We also present in some detail the derivation of the approximation, which goes far beyond mean-field theory and is formulated in terms of complex-valued spectral functions of auxiliary fermions.
We consider the ground state properties of the two-dimensional spin-1/2 J 1 - J 2 -Heisenberg model on a square lattice. Within a diagrammatic formulation in terms of auxiliary fermions we consider two different approximation schemes. First we use a phenomenological assumption on the width of the pseudofermion spectral function to calculate the magnetization and the correlation length within RPA with qualitatively correct results. Secondly we employ a Functional Renormalization Group formulation to obtain quantitative results on the ground state correlations. We discuss two different projection schemes to account for the auxiliary particle constraint.
The nearest-neighbor quantum antiferromagnetic (AF) Heisenberg model for spin-1∕21∕21∕2 on a two-dimensional square lattice is studied in the auxiliary-fermion representation. Expressing spin operators by canonical fermionic particles requires a constraint on the fermion charge Qi=1{Q}_{i}=1Qi​=1 on each lattice site iii, which is imposed approximately through the thermal average. The resulting interacting fermion system is first treated in mean-field theory (MFT), which yields an AF ordered ground state and spin waves in quantitative agreement with conventional spin-wave theory. At finite temperature a self-consistent approximation beyond mean field is required in order to fulfill the Mermin-Wagner theorem. We first discuss a fully self-consistent approximation, where fermions are renormalized due to fluctuations of their spin density, in close analogy to FLEX. While static properties like the correlation length, $\ensuremath{\xi}(T)\ensuremath{\propto}\mathrm{exp}(aJ∕T)$, come out correctly, the dynamical response lacks the magnon-like peaks which would reflect the appearance of short-range order at low TTT. This drawback, which is caused by overdamping, is overcome in a ``minimal self-consistent approximation'' (MSCA), which we derive from the equations of motion. The MSCA features dynamical scaling at small energy and temperature and is qualitatively correct both in the regime of order-parameter relaxation at long wavelengths $\ensuremath{\lambda}>\ensuremath{\xi}$ and in the short-range-order regime at $\ensuremath{\lambda}<\ensuremath{\xi}$. We also discuss the impact of vertex corrections and the problem of pseudo-gap formation in the single-particle density of states due to long-range fluctuations. Finally we show that the (short-range) magnetic order in MFT and MSCA helps to fulfill the constraint on the local fermion occupancy.
We study the ground state properties of the two-dimensional spin-1/2 J_1-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 RPA, demonstrating the appearance of a paramagnetic phase between the Neel ordered and Collinear ordered phases, at sufficiently large pseudo fermion damping. Secondly 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 Neel order at g = J_2/J_1 0.66 ... 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 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.
The pseudofermion representation for S=1/2S=1/2S=1/2 quantum spins introduces unphysical states in the Hilbert space, which can be projected out using the Popov-Fedotov trick. However, state-of-the-art implementation of the functional renormalization group method for pseudofermions have so far omitted the Popov-Fedotov projection. Instead, restrictions to zero temperature were made and the absence of unphysical contributions to the ground state was assumed. We question this belief by exact diagonalization of several small-system counterexamples where unphysical states do contribute to the ground state. We then introduce Popov-Fedotov projection to pseudofermion functional renormalization, enabling finite-temperature computations with only minor technical modifications to the method. At large and intermediate temperatures, our results are perturbatively controlled and we confirm their accuracy in benchmark calculations. At lower temperatures, the accuracy degrades due to truncation errors in the hierarchy of flow equations. Interestingly, these problems cannot be alleviated by switching to the parquet approximation. We introduce the spin projection as a method-intrinsic quality check. We also show that finite-temperature magnetic-ordering transitions can be studied via finite-size scaling.
I derive a dual description of lattice fermions, specifically focusing on the t-J and Hubbard models, that allow diagrammatic techniques to be employed efficiently in the strongly correlated regime, as well as for systems with a restricted Hilbert space. These constructions are based on spin-charge transformation, where the lattice fermions of the original model are mapped onto spins and spin-less fermions. This mapping can then be combined with Popov-Fedotov fermionisation, where the spins are mapped onto lattice fermions with imaginary chemical potential. The resulting models do not contain any large expansion parameters, even for strongly correlated systems. Also, they exhibit dramatically smaller corrections to the density matrix from nonlinear terms in the Hamiltonian. The combination of these two properties means that they can be addressed with diagrammatic methods, including simulation techniques based on stochastic sampling of diagrammatic expansions.