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arXiv:2205.09216 · Physical Review A

Normal state of attractive Fermi gases from coupled-cluster theory

James M. Callahan, John Sous, Timothy C. Berkelbach

Published Sep 6, 2022• 1 citation
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Abstract

We apply coupled-cluster (CC) theory to numerically study the normal state of two-component dilute Fermi gases with attractive short-range interactions at zero temperature. We focus on CC theory with double excitations (CCD) and discuss its close relationship with---and improvement upon---the $t$-matrix approximation, i.e., the resummation of ladder diagrams via a random-phase approximation. We further discuss its relationship with Chevy's variational wave-function ansatz for the Fermi polaron and argue that CCD is its natural extension to nonzero minority species concentrations. Studying normal-state energetics for a range of interaction strengths below and above unitarity, we find that CCD yields good agreement with fixed-node diffusion Monte Carlo. We find that CCD does not converge for small polarizations and large interaction strengths, which we speculatively attribute to the nascent instability to a superfluid state.

DOI
10.1103/physreva.106.033303

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We apply coupled-cluster (CC) theory to numerically study the normal state of two-component dilute Fermi gases with attractive short-range interactions at zero temperature. We focus on CC theory with double excitations (CCD) and discuss its close relationship with---and improvement upon---the ttt-matrix approximation, i.e., the resummation of ladder diagrams via a random-phase approximation. We further discuss its relationship with Chevy's variational wave-function ansatz for the Fermi polaron and argue that CCD is its natural extension to nonzero minority species concentrations. Studying normal-state energetics for a range of interaction strengths below and above unitarity, we find that CCD yields good agreement with fixed-node diffusion Monte Carlo. We find that CCD does not converge for small polarizations and large interaction strengths, which we speculatively attribute to the nascent instability to a superfluid state.
We investigate a two-component mixture of resonantly interacting Fermi gases as a function of the ratio $\ensuremath{\kappa}$ of the heavy to the light mass of the two species. The diffusion Monte Carlo method is used to calculate the ground-state energy and the pair correlation function starting from two different guiding wave functions, which describe, respectively, the superfluid and the normal state of the gas. Results show that the mixture is stable and superfluid for mass ratios smaller than the critical value ${\ensuremath{\kappa}}_{c}=13\ifmmode\pm\else\textpm\fi{}1$. For larger values of $\ensuremath{\kappa}$ simulations utilizing the wave function of the normal state are unstable towards cluster formation. The relevant cluster states driving the instability appear to be formed by one light particle and two or more heavy particles within distances on the order of the range of the interatomic potential. The small overlap between the wave function of the trimer bound state and the guiding wave function used to describe the superfluid state produces the unphysical stability of the superfluid gas above ${\ensuremath{\kappa}}_{c}$.
Quantum degenerate Fermi gases can be created in the laboratories using alkali atoms. These gases can be in different regimes of density and interaction strength and provide an ideal test bed for the basic properties of the quantum and statistical mechanics. Also some astrophysical objects such as neutron stars can be idealized as interacting fermion systems. In this thesis work, the ground state properties of dilute Fermi gases with attractive short range two-body interactions are reported. Main results of this work are produced by application of quantum Monte Carlo methods. We introduce variational nodal structure to the trial wave function in order to deal with the fermion sign problem. We consider the possibility of Cooper pairing between fermions of different species. The strength of the interaction is varied to study different pairing regimes which are characterized by the product of the s-wave scattering length a and the Fermi wave vector kF. We also review some of the conventional variational methods such as the Lowest Order Constrained Variational which is suitable for Fermi fluids without pairing correlation. The ground state energy, pairing gap Δ, quasi-particle spectrum, two-body distribution function, and momentum distribution of the superfluid were studied with greater accuracy using ab initio quantum Monte Carlo techniques. In the case of the two component Fermi fluid, we find that in the weak coupling regime, 1/akF < -1, the system is a Bardeen-Cooper-Schrieffer type superfluid and the energy gap Δ is much smaller than the Fermi gas energy EFG. For 1/akF ≥ 0:5 we find that weakly interacting composite bosons or molecules are formed in the superfluid gas with Δ and gas energy per particle approaching half of the molecular energy jEmolj=2. In this region we seem to have Bose-Einstein condensation of molecules. The behavior of the energy, chemical potential and energy gap in the transition region, -0:5 < 1/akF < 0:5, is discussed. The study is extended to the three component Fermi fluid in relation to the spin polarized alkali gases and color superconductivity of the quark matter. Unlike the two component fluids, zero potential range limit cannot be reached without causing collapse of the system. We also study the scaling behavior of the three-body system. We calculate the threshold of the three-body bound state as a function of the potential range and strength. For the many-body systems, we find that ground state can be achieved by broken symmetry pairing. However, the restored symmetry pairing scenario in the strongly interacting regime is not conclusive. We also discuss the pairing gap as well as the structural properties such as two-body distribution functions.
We investigate the phase diagram of asymmetric two-component Fermi gases at zero temperature as a function of polarization and interaction strength. The equations of state of the uniform superfluid and normal phase are determined using quantum Monte Carlo simulations. We find three different mixed states, where the superfluid and the normal phase coexist in equilibrium, corresponding to phase separation between (a) the polarized superfluid and the fully polarized normal gas, (b) the polarized superfluid and the partially polarized normal gas, and (c) the unpolarized superfluid and the partially polarized normal gas.
We consider population-imbalanced two-component Fermi gases under external harmonic confinement interacting through short-range two-body potentials with diverging sss-wave scattering length. Using the fixed-node diffusion Monte Carlo method, the energies of the ``normal state'' are determined as functions of the population imbalance and the number of particles. The energies of the trapped system follow, to a good approximation, a universal curve even for fairly small systems. A simple parametrization of the universal curve is presented and related to the equation of state of the bulk system.
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.
We study the phase diagram of the dilute two-component Fermi gas at zero temperature as a function of the polarization and coupling strength. We map out the detailed phase separations between superfluid and normal states near the Feshbach resonance. We show that there are three different coexistence of superfluid and normal phases corresponding to phase separated states between: (I) the partially polarized superfluid and the fully polarized normal phases, (II) the unpolarized superfluid and the fully polarized normal phases and (III) the unpolarized superfluid and the partially polarized normal phases from strong-coupling BEC side to weak-coupling BCS side. For pairing between two species, we found this phase separation regime gets wider and moves toward the BEC side for the majority species are heavier but shifts to BCS side and becomes narrow if they are lighter.