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arXiv:2103.13251 · Physical Review A

Quantum Monte Carlo simulations of two-dimensional repulsive Fermi gases with population imbalance

Sebastiano Pilati, Giuliano Orso, Gianluca Bertaina

Published Jun 21, 2021• 12 citations
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Abstract

The ground-state properties of two-component repulsive Fermi gases in two dimensions are investigated by means of fixed-node diffusion Monte Carlo simulations. The energy per particle is determined as a function of the intercomponent interaction strength and of the population imbalance. The regime of universality in terms of the $s$-wave scattering length is identified by comparing results for hard-disk and for soft-disk potentials. In the large imbalance regime, the equation of state turns out to be well described by a Landau-Pomeranchuk functional for two-dimensional polarons. To fully characterize this expansion, we determine the polarons' effective mass and their coupling parameter, complementing previous studies on their chemical potential. Furthermore, we extract the magnetic susceptibility from low-imbalance data, finding only small deviations from the mean-field prediction. While the mean-field theory predicts a direct transition from a paramagnetic to a fully ferromagnetic phase, our diffusion Monte Carlo results suggest that the partially ferromagnetic phase is stable in a narrow interval of the interaction parameter. This finding calls for further analyses on the effects due to the fixed-node constraint.

DOI
10.1103/physreva.103.063314

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The ground-state properties of two-component repulsive Fermi gases in two dimensions are investigated by means of fixed-node diffusion Monte Carlo simulations. The energy per particle is determined as a function of the intercomponent interaction strength and of the population imbalance. The regime of universality in terms of the sss-wave scattering length is identified by comparing results for hard-disk and for soft-disk potentials. In the large imbalance regime, the equation of state turns out to be well described by a Landau-Pomeranchuk functional for two-dimensional polarons. To fully characterize this expansion, we determine the polarons' effective mass and their coupling parameter, complementing previous studies on their chemical potential. Furthermore, we extract the magnetic susceptibility from low-imbalance data, finding only small deviations from the mean-field prediction. While the mean-field theory predicts a direct transition from a paramagnetic to a fully ferromagnetic phase, our diffusion Monte Carlo results suggest that the partially ferromagnetic phase is stable in a narrow interval of the interaction parameter. This finding calls for further analyses on the effects due to the fixed-node constraint.
We study the repulsive polaron problem in a two-component two-dimensional system of fermionic atoms. We use two different interaction models: a short-range (hard-disk) potential and a dipolar potential. In our approach, all the atoms have the same mass and we consider the system to be composed of a uniform bath of a single species and a single atomic impurity. We use the diffusion Monte Carlo method to evaluate polaron properties such as its chemical potential and pair distribution functions, together with a discussion on the deficit of volume induced by the impurity. We also evaluate observables that allow us to determine the validity of the quasiparticle picture: the quasiparticle residue and the effective mass of the polaron. Employing two different potentials allows us to identify the universality regime, where the properties depend only on the gas parameter nas2n{a}_{s}^{2}nas2​ fixed by the bath density and the two-dimensional scattering length.
We study a two-component mixture of fermionic dipoles in two dimensions at zero temperature, interacting via a purely repulsive 1/r31/{r}^{3}1/r3 potential. This model can be realized with ultracold atoms or molecules when their dipole moments are aligned in the confinement direction orthogonal to the plane. We characterize the unpolarized mixture by means of the diffusion Monte Carlo technique. Computing the equation of state, we identify the regime of validity for a mean-field theory based on a low-density expansion and compare our results with the hard-disk model of repulsive fermions. At high density, we address the possibility of itinerant ferromagnetism, namely, whether the ground state can be fully polarized in the fluid phase. Within the fixed-node approximation, we show that the accuracy of Jastrow-Slater trial wave functions, even with the typical two-body backflow correction, is not sufficient to resolve the relevant energy differences. By making use of the iterative-backflow improved trial wave functions, we observe no signature of a fully polarized ground state up to the freezing density.
Single-component ultracold atomic Fermi gases are usually described using noninteracting many-fermion models. However, recent experiments reached a regime where ppp-wave interactions among identical fermionic atoms are important. In this paper, we employ variational and fixed-node diffusion Monte Carlo simulations to investigate the ground-state properties of single-component Fermi gases with short-range repulsive interactions. We determine the zero-temperature equation of state, and elucidate the roles played by the ppp-wave scattering volume and the ppp-wave effective range. A comparison against recently derived second-order perturbative results shows good agreement in a broad range of interaction strength. We also compute the quasiparticle effective mass, and we confirm the perturbative prediction of a linear contribution in the ppp-wave scattering volume, while we find significant deviations from the beyond-mean-field perturbative result, already for moderate interaction strengths. Finally, we determine ground-state energies for two-component unpolarized Fermi gases with both interspecies and intraspecies hard-sphere interactions, finding remarkable agreement with a recently derived fourth-order expansion that includes ppp-wave contributions.
We predict the phase separations of two-dimensional Fermi gases with repulsive contact-type interactions between two spin components. Using density-potential functional theory with systematic semiclassical approximations, we address the long-standing problem of itinerant ferromagnetism in realistic settings. We reveal a universal transition from the paramagnetic state at small repulsive interactions toward ferromagnetic density profiles at large interaction strengths, with intricate particle-number dependent phases in between. Building on quantum Monte Carlo results for uniform systems, we benchmark our simulations against Hartree–Fock calculations for a small number of trapped fermions. We thereby demonstrate that our employed corrections to the bare contact interaction energy and especially to the Thomas–Fermi kinetic energy functional are necessary for reliably predicting properties of trapped mesoscopic Fermi gases. The density patterns of the ground state survive at low finite temperatures and confirm the Stoner-type polarization behavior across a universal interaction parameter, albeit with substantial quantitative differences that originate in the trapping potential and the quantum-corrected kinetic energy. We also uncover a plethora of metastable configurations that are energetically comparable to the ground-state density profiles and are thus likely to be observed in experiments. We argue that our density-functional approach can be easily applied to interacting multi-component Fermi gases in general.
We investigate the phase diagram of a two-component repulsive Fermi gas at T=0 by means of quantum Monte Carlo simulations. Both purely repulsive and resonant attractive model potentials are considered in order to analyze the limits of the universal regime where the details of interatomic forces can be neglected. The equation of state of both balanced and unbalanced systems is calculated as a function of the interaction strength and the critical density for the onset of ferromagnetism is determined. The energy of the strongly polarized gas is calculated and parametrized in terms of the physical properties of repulsive polarons, which are relevant for the stability of the fully ferromagnetic state. Finally, we analyze the phase diagram in the interaction-polarization plane under the assumption that only phases with homogeneous magnetization can be produced.
We study the repulsive Fermi polaron in a two-component, two-dimensional system of fermionic atoms inspired by the results of a recent experiment with 173Yb^{173}\mathrm{Yb}173Yb atoms [N. Darkwah Oppong et al., Phys. Rev. Lett. 122, 193604 (2019)]. We use the diffusion Monte Carlo method to report properties such as the polaron energy and the quasiparticle residue that have been measured in that experiment. To provide insight into the quasiparticle character of the problem, we also report results for the effective mass. We show that the effective range, together with the scattering length, is needed in order to reproduce the experimental results. Using different model potentials for the interaction between the Fermi sea and the impurity, we show that it is possible to establish a regime of universality, in terms of these two parameters, that includes the whole experimental regime. This illustrates the relevance of quantum fluctuations and beyond mean-field effects to correctly describe the Fermi polaron problem.