The Algorithms for Lattice Fermions package provides a general code for the finite temperature auxiliary field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to an Ising field with given dynamics. We provide predefined types that allow the user to specify the model, the Bravais lattice as well as equal time and time displaced observables. The code supports an MPI implementation. Examples such as the Hubbard model on the honeycomb lattice and the Hubbard model on the square lattice coupled to a transverse Ising field are provided and discussed in the documentation. We furthermore discuss how to use the package to implement the Kondo lattice model and the SU(N )-Hubbard-Heisenberg model. One can download the code from our Git instance at https://alf.physik.uni-wuerzburg.de and sign in to file issues.

The adiabatic insertion of a flux into a quantum spin Hall insulator gives rise to localized spin and charge fluxon states. We demonstrate that fluxes can be used in exact quantum Monte Carlo simulations to identify a correlated Z 2 topological insulator using the example of the Kane-Mele-Hubbard model. In the presence of repulsive interactions, a flux gives rise to a Kramers doublet of spin-fluxon states with a Curie-law signature in the magnetic susceptibility. Electronic correlations also provide a bosonic mode of magnetic excitons with tunable energy that act as exchange particles and mediate a dynamical interaction of adjustable range and strength between spin fluxons. fluxes can therefore be used to build models of interacting spins. This idea is applied to a three-spin ring and to one-dimensional spin chains. Because of the freedom to create almost arbitrary spin lattices, correlated topological insulators with fluxes represent a novel kind of quantum simulator, potentially useful for numerical simulations and experiments.

We report the results of extensive dynamical cluster approximation calculations, based on a quantum Monte Carlo solver, for the two-dimensional Kondo lattice model. Our particular cluster implementation renders possible the simulation of spontaneous antiferromagnetic symmetry breaking. By explicitly computing the single-particle spectral function both in the paramagnetic and antiferromagnetic phases, we follow the evolution of the Fermi surface across this magnetic transition. The results, computed for clusters up to 16 orbitals, show clear evidence for the existence of three distinct Fermi surface topologies. The transition from the paramagnetic metallic phase to the antiferromagnetic metal is continuous; Kondo screening does not break down and we observe a back-folding of the paramagnetic heavy fermion band. Within the antiferromagnetic phase and when the ordered moment becomes large the Fermi surface evolves to one which is adiabatically connected to a Fermi surface where the local moments are frozen in an antiferromagnetic order.

We investigate metamagnetic transitions in models for heavy fermions by considering the doped Kondo lattice model in two dimensions. Results are obtained within the framework of dynamical mean field and dynamical cluster approximations. Universal magnetization curves for different temperatures and Kondo couplings develop upon scaling with the lattice coherence temperature. Furthermore, the coupling of the local moments to the magnetic field is varied to take into account the different Landé factors of localized and itinerant electrons. The competition between the lattice coherence scale and the Zeeman energy scale allows for two interpretations of the metamagnetism in heavy fermions: Kondo breakdown or Lifshitz transitions. By tracking the single-particle residue through the transition, we can uniquely conclude in favor of the Lifshitz transition scenario. In this scenario, a quasiparticle band drops below the Fermi energy which leads to a change in topology of the Fermi surface.

We study spinless fermions with nearest-neighbor repulsive interactions (t-V model) on the twodimensional three-band Lieb lattice. At half-filling, the free electronic band structure consists of a flat band at zero energy and a single cone with linear dispersion. The flat band is expected to be unstable upon inclusion of electronic correlations, and a natural channel is charge order. However, due to the three-orbital unit cell, commensurate charge order implies an imbalance of electron and hole densities and therefore doping away from half-filling. Our numerical results show that below a finite-temperature Ising transition a charge density wave with one electron and two holes per unit cell and its partner under particle-hole transformation are spontaneously generated. Our calculations are based on recent advances in auxiliary-field and continuous-time quantum Monte Carlo simulations that allow sign-free simulations of spinless fermions at half-filling. It is argued that particle-hole symmetry breaking provides a route to access levels of finite doping, without introducing a sign problem.