arXiv:2411.18198 · Physical review. B./Physical review. B
Pseudo-Majorana functional renormalization for frustrated XXZ spin- 1 2 models with field or magnetization along the spin- Z direction at finite temperature
Frederic Bippus, Benedikt Schneider, Björn Sbierski
The numerical study of high-dimensional frustrated quantum magnets remains a challenging problem. Here we present an extension of the pseudo-Majorana functional renormalization group to spin-1/2 XXZ-type Hamiltonians with field or magnetization along spin- Z direction at finite temperature. We consider a U(1) symmetry-adapted fermionic spin representation and derive the diagrammatic framework and its renormalization group flow equations. We discuss benchmark results and application to two antiferromagnetic triangular lattice materials recently studied in experiments with applied magnetic fields: First, we numerically reproduce the magnetization data measured for CeMgAl 11 O 19 confirming model parameters previously estimated from inelastic neutron spectrum in high fields. Second, we showcase the accuracy of our method by studying the thermal phase transition into the spin solid up-up-down phase of Na 2 BaCo ( PO 4 ) 2 in good agreement with experiment.
The numerical study of high-dimensional frustrated quantum magnets remains a challenging problem. Here we present an extension of the pseudo-Majorana functional renormalization group to spin-1/2 XXZ-type Hamiltonians with field or magnetization along spin- Z direction at finite temperature. We consider a U(1) symmetry-adapted fermionic spin representation and derive the diagrammatic framework and its renormalization group flow equations. We discuss benchmark results and application to two antiferromagnetic triangular lattice materials recently studied in experiments with applied magnetic fields: First, we numerically reproduce the magnetization data measured for CeMgAl 11 O 19 confirming model parameters previously estimated from inelastic neutron spectrum in high fields. Second, we showcase the accuracy of our method by studying the thermal phase transition into the spin solid up-up-down phase of Na 2 BaCo ( PO 4 ) 2 in good agreement with experiment.
The pseudofermion functional renormalization group (PFFRG) method has proven to be a powerful numerical approach to treat frustrated quantum spin systems. In its usual implementation, however, the complex fermionic representation of spin operators introduces unphysical Hilbert-space sectors which render an application at finite temperatures inaccurate. In this work we formulate a general functional renormalization group approach based on Majorana fermions to overcome these difficulties. We, particularly, implement spin operators via an SO(3) symmetric Majorana representation which does not introduce any unphysical states and, hence, remains applicable to quantum spin models at finite temperatures. We apply this scheme, dubbed pseudo-Majorana functional renormalization group (PMFRG) method, to frustrated Heisenberg models on small spin clusters as well as square and triangular lattices. Computing the finite-temperature behavior of spin correlations and thermodynamic quantities such as free energy and heat capacity, we find good agreement with exact diagonalization and the high-temperature series expansion down to moderate temperatures. We observe a significantly enhanced accuracy of the PMFRG compared to the PFFRG at finite temperatures. More generally, we conclude that the development of functional renormalization group approaches with Majorana fermions considerably extends the scope of applicability of such methods.
The pseudo-fermion functional renormalization group is generalized to treat spin Hamiltonians with finite magnetic fields, enabling its application to arbitrary spin lattice models with linear and bilinear terms in the spin operators. We discuss in detail an efficient numerical implementation of this approach making use of the system's symmetries. Particularly, we demonstrate that the inclusion of small symmetry-breaking magnetic seed fields regularizes divergences of the susceptibility at magnetic phase transitions. This allows the investigation of spin models within magnetically ordered phases at T=0 in the physical limit of vanishing renormalization group parameter $\mathrm{\ensuremath{\Lambda}}$. We explore the capabilities and limitations of this method extension for Heisenberg models on the square, honeycomb, and triangular lattices. While the zero-field magnetizations of these systems are systematically overestimated, the types of magnetic orders are correctly captured, even if the local orientations of the seed field are chosen differently than the spin orientations of the realized magnetic order. Furthermore, the magnetization curve of the square lattice Heisenberg antiferromagnet shows good agreement with error controlled methods. In the future, the inclusion of magnetic fields in the pseudo-fermion functional renormalization group, which is also possible in three-dimensional spin systems, will enable a variety of additional interesting applications such as the investigation of magnetization plateaus.
The pseudo-fermion functional renormalization group is generalized to treat spin Hamiltonians with finite magnetic fields, enabling its application to arbitrary spin lattice models with linear and bilinear terms in the spin operators. We discuss in detail an efficient numerical implementation of this approach making use of the system's symmetries. Particularly, we demonstrate that the inclusion of small symmetry breaking magnetic seed fields regularizes divergences of the susceptibility at magnetic phase transitions. This allows the investigation of spin models within magnetically ordered phases at T=0 in the physical limit of vanishing renormalization group parameter Λ. We explore the capabilities and limitations of this method extension for Heisenberg models on the square, honeycomb and triangular lattices. While the zero-field magnetizations of these systems are systematically overestimated, the types of magnetic orders are correctly captured, even if the local orientations of the seed field are chosen differently than the spin orientations of the realized magnetic order. Furthermore, the magnetization curve of the square lattice Heisenberg antiferromagnet shows good agreement with error controlled methods. In the future, the inclusion of magnetic fields in the pseudo-fermion functional renormalization group, which is also possible in three dimensional spin systems, will enable a variety of additional interesting applications such as the investigation of magnetization plateaus.
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% and we further confirm the established values for the critical exponent ν and the anomalous dimension η. 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→0. While extensions towards higher loop orders ℓ seem to systematically improve our approach for magnetically disordered systems we also discuss subtleties when increasing ℓ 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.
We implement the temperature flow scheme first proposed by Honerkamp and Salmhofer in 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 T -- 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 J1-J2 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. 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 non-magnetic 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 5% deviation from the numerically exact results.
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 T, 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. 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 5 deviation from the numerically exact results.