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arXiv:1504.00925 · Physical Review A

Ground-state properties of strongly interacting Fermi gases in two dimensions

Hao Shi, Simone Chiesa, Shiwei Zhang

Published Sep 8, 2015• 97 citations
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Abstract

Exact calculations are performed on the two-dimensional strongly interacting unpolarized uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of imaginary-time paths using BCS trial wave functions and a force bias technique. Their combination enables calculations on large enough lattices to reliably compute ground-state properties in the thermodynamic limit. An equation of state is obtained with a parametrization provided, which can serve as a benchmark and allow accurate comparisons with experiments. The pressure, contact parameter, and condensate fraction are determined systematically vs ${k}_{F}a$. The momentum distribution, pairing correlation, and the structure of the pair wave function are computed. The use of force bias to accelerate the Metropolis sampling of auxiliary fields in determinantal approaches is discussed.

DOI
10.1103/physreva.92.033603

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Exact calculations are performed on the two-dimensional strongly interacting unpolarized uniform Fermi gas with a zero-range attractive interaction. Two auxiliary-field approaches are employed which accelerate the sampling of imaginary-time paths using BCS trial wave functions and a force bias technique. Their combination enables calculations on large enough lattices to reliably compute ground-state properties in the thermodynamic limit. An equation of state is obtained with a parametrization provided, which can serve as a benchmark and allow accurate comparisons with experiments. The pressure, contact parameter, and condensate fraction are determined systematically vs kFa{k}_{F}akF​a. The momentum distribution, pairing correlation, and the structure of the pair wave function are computed. The use of force bias to accelerate the Metropolis sampling of auxiliary fields in determinantal approaches is discussed.
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 calculate the ground-state properties of unpolarized two-dimensional attractive fermions in the range from few to many particles. Using first-principles lattice Monte Carlo methods, we determine the ground-state energy, Tan's contact, momentum distribution, and single-particle correlation function. We investigate those properties for systems of $N=4,8,\ensuremath{\cdots},40$ particles and for a wide range of attractive couplings. As the attractive coupling is increased, the thermodynamic limit is reached at progressively lower NNN due to the dominance of the two-body sector. At large momenta kkk, the momentum distribution displays the expected ${k}^{\ensuremath{-}4}$ behavior, but its onset shifts from $k\ensuremath{\simeq}1.8{k}_{F}^{}$ at weak coupling towards higher kkk at strong coupling.
The recent experimental realization of spin-orbit coupled Fermi gases provides a unique opportunity to study the interplay between strong interaction and spin-orbit coupling (SOC) in a tunable, disorder-free system. We present here precision ab initio numerical results on the two-dimensional, unpolarized, uniform Fermi gas with attractive interactions and Rashba SOC. Using the auxiliary-field quantum Monte Carlo method and incorporating recent algorithmic advances, we carry out exact calculations on sufficiently large system sizes to provide accurate results systematically as a function of experimental parameters. We obtain the equation of state, the momentum distributions, the pseudospin correlations, and the pair wave functions. Our results help illuminate the rich pairing structure induced by SOC, and provide benchmarks for theory and guidance to future experimental efforts.
We solve the zero-temperature unitary Fermi gas problem by incorporating a BCS importance function into the auxiliary-field quantum Monte Carlo method. We demonstrate that this method does not suffer from a sign problem and that it increases the efficiency of standard techniques by many orders of magnitude for strongly paired fermions. We calculate the ground-state energies exactly for unpolarized systems with up to 66 particles on lattices of up to 273{27}^{3}273 sites, obtaining an accurate result for the universal parameter $\ensuremath{\xi}$. We also obtain results for interactions with different effective ranges and find that the energy is consistent with a universal linear dependence on the product of the Fermi momentum and the effective range. This method will have many applications in superfluid cold atom systems and in both electronic and nuclear structures where pairing is important.
Ground-state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are calculated for interaction strengths of U/tU/tU/t from 2 to 8, for a range of densities including half-filling and n=0.3,0.5,0.6,0.75n=0.3,0.5,0.6,\phantom{\rule{0.16em}{0ex}}0.75n=0.3,0.5,0.6,0.75, and 0.8750.8750.875. At half-filling, the results are numerically exact. Away from half-filling, the constrained path Monte Carlo method is employed to control the sign problem. Our results are obtained with several advances in the computational algorithm, which are described in detail. We discuss the advantages of generalized Hartree-Fock trial wave functions and its connection to pairing wave functions, as well as the interplay with different forms of Hubbard-Stratonovich decompositions. We study the use of different twist angle sets when applying the twist averaged boundary conditions. We propose the use of quasirandom sequences, which improves the convergence to the thermodynamic limit over pseudorandom and other sequences. With it and a careful finite size scaling analysis, we are able to obtain accurate values of ground-state properties in the thermodynamic limit. Detailed results for finite-sized systems up to $16\ifmmode\times\else\texttimes\fi{}16$ are also provided for benchmark purposes.
We introduce an efficient and numerically stable technique to make use of a BCS trial wave function in the computation of correlation functions of strongly correlated quantum fermion systems. The technique is applicable to any projection approach involving paths of independent-fermion propagators, for example, in mean-field or auxiliary-field quantum Monte Carlo (AFQMC) calculations. Within AFQMC, in the absence of the sign problem, the methodology allows the use of a BCS reference state which can greatly reduce the required imaginary time of projection and improves Monte Carlo sampling efficiency and statistical accuracy for systems where pairing correlations are important. When the sign problem is present, the approach provides a powerful generalization of the constrained-path AFQMC technique which usually uses Slater determinant trial wave functions. As a demonstration of the capability of the methodology, we present benchmark results for the attractive Hubbard model, both spin balanced (no sign problem) and with a finite spin polarization (with sign problem).