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arXiv:2212.09150 · Physical Review A

Quantum Monte Carlo study of the role of p -wave interactions in ultracold repulsive Fermi gases

Gianluca Bertaina, Marco G. Tarallo, Sebastiano Pilati

Published May 8, 2023• 9 citations
arXivHTMLPDF

Abstract

Single-component ultracold atomic Fermi gases are usually described using noninteracting many-fermion models. However, recent experiments reached a regime where $p$-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 $p$-wave scattering volume and the $p$-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 $p$-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 $p$-wave contributions.

DOI
10.1103/physreva.107.053305

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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.
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.
Ultracold atomic Fermi gases have been a popular topic of research, with attention being paid recently to two-dimensional (2D) gases. In this work, we perform T=0T=0T=0 ab initio diffusion Monte Carlo calculations for a strongly interacting two-component Fermi gas confined to two dimensions. We first go over finite-size systems and the connection to the thermodynamic limit. After that, we illustrate pertinent 2D scattering physics and properties of the wave function. We then show energy results for the strong-coupling crossover, in between the Bose-Einstein condensation (BEC) and Bardeen-Cooper-Schrieffer (BCS) regimes. Our energy results for the BEC-BCS crossover are parametrized to produce an equation of state, which is used to determine Tan's contact. We carry out a detailed comparison with other microscopic results. Finally, we calculate the pairing gap for a range of interaction strengths in the strong coupling regime, following from variationally optimized many-body wave functions.
We study the Fermi liquid properties of a single component Fermi gas with p-wave interactions. In the weak repulsive limit, we obtain exact perturbative expansions for the ground state energy, the chemical potential, and the effective mass of the Landau quasiparticle up to second order in scattering volume a. We also calculated the corresponding Landau functions and Landau parameters and show that they satisfy the general Fermi liquid identities. Using the Landau transport equation, we show that undamped zero sound only appears in the second order in scattering volume, in contrast to the s-wave case.
We calculate the equation of state of a two-component Fermi gas with attractive short-range interspecies interactions using the fixed-node diffusion Monte Carlo method. The interaction strength is varied over a wide range by tuning the value a of the s-wave scattering length of the two-body potential. For a>0 and a smaller than the inverse Fermi wave vector our results show a molecular regime with repulsive interactions well described by the dimer-dimer scattering length a(m)=0.6a. The pair correlation functions of parallel and opposite spins are also discussed as a function of the interaction strength.
The physics of quantum degenerate atomic Fermi gases in uniform as well as in harmonically trapped configurations is reviewed from a theoretical perspective. Emphasis is given to the effect of interactions that play a crucial role, bringing the gas into a superfluid phase at low temperature. In these dilute systems, interactions are characterized by a single parameter, the sss-wave scattering length, whose value can be tuned using an external magnetic field near a broad Feshbach resonance. The BCS limit of ordinary Fermi superfluidity, the Bose-Einstein condensation (BEC) of dimers, and the unitary limit of large scattering length are important regimes exhibited by interacting Fermi gases. In particular, the BEC and the unitary regimes are characterized by a high value of the superfluid critical temperature, on the order of the Fermi temperature. Different physical properties are discussed, including the density profiles and the energy of the ground-state configurations, the momentum distribution, the fraction of condensed pairs, collective oscillations and pair-breaking effects, the expansion of the gas, the main thermodynamic properties, the behavior in the presence of optical lattices, and the signatures of superfluidity, such as the existence of quantized vortices, the quenching of the moment of inertia, and the consequences of spin polarization. Various theoretical approaches are considered, ranging from the mean-field description of the BCS-BEC crossover to nonperturbative methods based on quantum Monte Carlo techniques. A major goal of the review is to compare theoretical predictions with available experimental results.
We calculate the ground-state properties of an unpolarized two-component Fermi gas with the aid of the diffusion quantum Monte Carlo (DMC) methods. Using an extrapolation to the zero effective range of the attractive two-particle interaction, we find E/EfreeE/{E}_{\mathrm{free}}E/Efree​ in the unitary limit to be 0.212(2), 0.407(2), 0.409(3), and 0.398(3) for 4, 14, 38, and 66 atoms, respectively. Our calculations indicate that the dependence of the total energy on the effective range of the interaction Reff{R}_{\mathrm{eff}}Reff​ is sizable and the extrapolation to Reff=0{R}_{\mathrm{eff}}=0Reff​=0 is therefore important for reaching the true unitary limit. To test the quality of nodal surfaces and to estimate the impact of the fixed-node approximation, we perform released-node DMC calculations for 4 and 14 atoms. Analysis of the released-node and the fixed-node results suggests that the main sources of the fixed-node errors are long-range correlations, which are difficult to sample in the released-node approaches due to the fast growth of the bosonic noise. Besides energies, we evaluate the two-body density matrix and the condensate fraction. We find that the condensate fraction for the 66-atom system converges to 0.56(1) after the extrapolation to the zero interaction range.