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arXiv:cond-mat/0610256 · Physical Review A

Density-functional theory of the trapped two-dimensional Fermi gas in the unitary regime

Brandon P. van Zyl, David A. W. Hutchinson, Melodie Need

Published Aug 14, 2007• 5 citations
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Abstract

A recent paper by T. Papenbrock [Phys. Rev. A 72, 041602(R) (2005)] suggests that a determination of the universal factor ${\ensuremath{\xi}}_{3\mathrm{D}}$ for a harmonically trapped, unpolarized dilute Fermi gas in the unitary regime may be obtained within the framework of a simple density-functional theory (DFT). One of the key results of that work is an estimate for the universal factor ${\ensuremath{\xi}}_{3\mathrm{D}}\ensuremath{\approx}0.54$, which is within 20% of the generally accepted quantum Monte Carlo simulation value of ${\ensuremath{\xi}}_{3\mathrm{D}}=0.44\ifmmode\pm\else\textpm\fi{}0.01$. Motivated by this result, this report investigates the determination of the universal factor ${\ensuremath{\xi}}_{2\mathrm{D}}$ for a two-dimensional trapped Fermi gas, and suggests that the simple DFT approach of Papenbrock provides an exact result of ${\ensuremath{\xi}}_{2\mathrm{D}}=1$ in two dimensions.

DOI
10.1103/physreva.76.025601

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A recent paper by T. Papenbrock [Phys. Rev. A 72, 041602(R) (2005)] suggests that a determination of the universal factor \ensuremathξ3D{\ensuremath{\xi}}_{3\mathrm{D}}\ensuremathξ3D​ for a harmonically trapped, unpolarized dilute Fermi gas in the unitary regime may be obtained within the framework of a simple density-functional theory (DFT). One of the key results of that work is an estimate for the universal factor \ensuremathξ3D\ensuremath≈0.54{\ensuremath{\xi}}_{3\mathrm{D}}\ensuremath{\approx}0.54\ensuremathξ3D​\ensuremath≈0.54, which is within 20% of the generally accepted quantum Monte Carlo simulation value of \ensuremathξ3D=0.44\ifmmode±\else\textpm\fi0.01{\ensuremath{\xi}}_{3\mathrm{D}}=0.44\ifmmode\pm\else\textpm\fi{}0.01\ensuremathξ3D​=0.44\ifmmode±\else\textpm\fi0.01. Motivated by this result, this report investigates the determination of the universal factor \ensuremathξ2D{\ensuremath{\xi}}_{2\mathrm{D}}\ensuremathξ2D​ for a two-dimensional trapped Fermi gas, and suggests that the simple DFT approach of Papenbrock provides an exact result of \ensuremathξ2D=1{\ensuremath{\xi}}_{2\mathrm{D}}=1\ensuremathξ2D​=1 in two dimensions.
We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit. A reformulation of the recent work of T. Papenbrock [1] in the language of fractional exclusion statistics allows us to obtain an estimate of the universal factor, ξ3D, in three dimensions (3D), in addition to providing a systematic treatment of finite-N corrections. We show that in 3D, finite-N corrections lead to unphysical values for ξ3D, thereby suggesting that a simple DFT applied to a small number of particles may not be suitable in 3D. We then perform an analogous calculation for the two-dimensional (2D) system in the infinite-scattering length regime, and obtain a value of ξ2D=1. Owing to the unique properties of the Thomas-Fermi energy density-functional in 2D our result, in contrast to 3D, is exact and therefore requires no finite-N corrections.
We determine the energy density $\ensuremath{\xi}(3∕5)n{\ensuremath{\epsilon}}_{F}$ and the gradient correction $\ensuremath{\lambda}{\ensuremath{\hbar}}^{2}{(\mathbf{\ensuremath{\nabla}}n)}^{2}∕(8mn)$ of the extended Thomas-Fermi (ETF) density functional, where nnn is the number density and ${\ensuremath{\epsilon}}_{F}$ is the Fermi energy, for a trapped two-component Fermi gas with infinite scattering length (unitary Fermi gas) on the basis of recent diffusion Monte Carlo (DMC) calculations [Phys. Rev. Lett. 99, 233201 (2007)]. In particular we find that $\ensuremath{\xi}=0.455$ and $\ensuremath{\lambda}=0.13$ give the best fit of the DMC data with an even number NNN of particles. We also study the odd-even splitting $\ensuremath{\gamma}{N}^{1∕9}\ensuremath{\hbar}\ensuremath{\omega}$ of the ground-state energy for the unitary gas in a harmonic trap of frequency $\ensuremath{\omega}$ determining the constant $\ensuremath{\gamma}$. Finally we investigate the effect of the gradient term in the time-dependent ETF model by introducing generalized Galilei-invariant hydrodynamics equations.
We consider interacting Fermi systems close to the unitary regime and compute the corrections to the energy density that are due to a large scattering length and a small effective range. Our approach exploits the universality of the density functional and determines the corrections from the analyical results for the harmonically trapped two-body system. The corrections due to the finite scattering length compare well with the result of Monte Carlo simulations. We also apply our results to symmetric neutron matter.
We simulate the dilute attractive Fermi-Hubbard model in the unitarity regime using a diagrammatic determinant Monte Carlo algorithm with worm-type updates. We obtain the dependence of the critical temperature on the filling factor ννν and, by extrapolating to ν→0ν\to 0ν→0, determine the universal critical temperature of the continuum unitary Fermi gas in units of Fermi energy: Tc/εF=0.152(7)T_c/ε_F=0.152(7)Tc​/εF​=0.152(7). We also determine the thermodynamic functions and show how the Monte Carlo results can be used for accurate thermometry of a trapped unitary gas.
In this thesis, following L. Salasnich and F. Toigo [Phys. Rev. A 78, 053626 (2008)] we use an extended Thomas-Fermi (TF) density functional to describe a gas of interacting fermions composed of an even number N of particle in the unitary regime confined by a spherically symmetric harmonic trap. The great advantage in taking such a functional, relative to functionals based on single-fermion wave functions, is to depend only on the density number n and on its derivatives, so that the numerical load is independent of the number of particles. By minimizing the ETF functional with respect to the density we obtain a time-independent non-linear Schrodinger equation which we solve using the imaginary time propagation method, by integrating numerically the corresponding time-dependent Schrodinger equation. We determine the two characteristic parameters of the functionals ξ and λ by fitting the Monte Carlo total energy data obtained by D. Blume et al. [Phys. Rev. Lett. 99, 233201 (2007)]. We obtain the values ξ = 0.469 and λ = 0.082 leading to a χ2 = 42. These values are to be compared with ξ = 0.455 and λ = 0.13, leading to a χ2 = 282 as proposed by Salasnich and Toigo. We also study the dependence of the ground-state density profile on the values of the two parameters, finding that ξ enhances the width of the profile, while increasing λ smooths out the outer boundary of the fermionic cloud. Advisor: Dr. Nicola Manini Co-Advisor: Dr. Luca Salasnich