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Physical Review B

Static local-field factors in a two-dimensional electron liquid

Reza Asgari, A. Levent Subaşı, Amir Abbas Sabouri-Dodaran, B. Tanatar

Published Oct 23, 2006• 14 citations
Publisher

Abstract

We present a numerical calculation for the static spin-symmetric and spin-antisymmetric local-field factors as a function of density in a two-dimensional (2D) unpolarized electron liquid. We use a recent analytical expression for the spin-resolved pair distribution function of a 2D electron liquid based on quantum Monte Carlo simulation data and accurate correlation energy as input to construct the local-field factors from the fluctuation-dissipation theorem. We obtain good agreement with data from quantum Monte Carlo studies of the 2D electron liquid over an extensive range of density.

DOI
10.1103/physrevb.74.155319

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We present a numerical calculation for the static spin-symmetric and spin-antisymmetric local-field factors as a function of density in a two-dimensional (2D) unpolarized electron liquid. We use a recent analytical expression for the spin-resolved pair distribution function of a 2D electron liquid based on quantum Monte Carlo simulation data and accurate correlation energy as input to construct the local-field factors from the fluctuation-dissipation theorem. We obtain good agreement with data from quantum Monte Carlo studies of the 2D electron liquid over an extensive range of density.
We present an analytical study of the dynamical local-field factors associated with the response of a homogeneous two-dimensional interacting electron liquid as functions of momentum, frequency, and density. We derive sum rules that constrain their asymptotic forms (in momentum and frequency) for both the spin-symmetric and spin-antisymmetric cases. Parametrized expressions for the local-field factors are proposed, based on all available sum rules and on many-body perturbation theory, and these are found to be in good agreement with quantum Monte Carlo calculations. Finally, these expressions are used to evaluate the effective electron-electron interaction in a local approximation for two-dimensional systems. It is shown that both the quantitative and qualitative behaviors of the interaction are sensitive to the inclusion of dynamical correlations.
Based on its known exact properties and a new set of extensive fixed-node reptation quantum Monte Carlo simulations (both with and without backflow correlations, which in this case turn out to yield negligible improvements), we propose an analytical representation of (i) the spin-summed pair-distribution function and (ii) the spin-resolved potential energy of the ideal two-dimensional interacting electron gas for a wide range of electron densities and spin polarization, plus (iii) the spin-resolved pair-distribution function of the unpolarized gas. These formulas provide an accurate reference for quantities previously not available in analytic form, and may be relevant to semiconductor heterostructures and quantum dots both directly, in terms of phase diagram and spin susceptibility, and indirectly, as key ingredients for the construction of new two-dimensional spin density functionals, beyond the local approximation.
Two-dimensional electron liquid (2D EL) at full Fermi degeneracy is revisited, giving special attention to the spin-polarization effects. First, we extend the recently proposed classical-map hypernetted-chain (CHNC) technique to the 2D EL, while preserving the simplicity of the original proposal. An efficient implementation of CHNC is given utilizing Lado's quadrature expressions for the isotropic Fourier transforms. Our results indicate that the paramagnetic phase stays to be the ground state until the Wigner crystallization density, even though the energy separation with the ferromagnetic and other partially polarized states become minute. We analyze compressibility and spin stiffness variations with respect to density and spin polarization, the latter being overlooked until now. Spin-dependent static structure factor and pair-distribution functions are computed; agreement with the available quantum Monte Carlo data persists even in the strong-coupling regime of the 2D EL.
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair-correlation function, static structure factor, and momentum density of the ground state of the two-dimensional (2D) homogeneous electron gas. We have used highly accurate Slater-Jastrow-backflow trial wave functions and twist averaging to reduce finite-size effects where applicable. We compare our results with others in the literature and construct a local-density-approximation exchange-correlation functional for 2D systems.
The static local-field factor (LFF) of the 2D electron fluid is calculated nonperturbatively using a mapping to a classical Coulomb fluid ( Phys. Rev. Lett. , 87 (2001) 206404). The LFF for the paramagnetic fluid differs markedly from perturbation theory where a peak near 2 k F is expected. Our LFF has a quasi-linear small- k region leading to a peak close to 3 k F , in agreement with available quantum Monte Carlo data. The structure in the LFF and its dependence on the density and temperature are interpreted as a signature of correlated scattering of electron pairs of opposite spin. The lack of structure at 2 k F implies weakened Friedel oscillations, Kohn anomalies, etc.
Motivated by a number of recent experimental studies we have revisited the problem of the microscopic calculation of the quasiparticle self-energy and many-body effective mass enhancement in an unpolarized two-dimensional electron liquid. Our systematic study is based on the many-body local field theory and takes advantage of the results of the most recent diffusion Monte Carlo calculations of the static charge and spin response of the electron liquid. We report extensive calculations of both the real and imaginary parts of the quasiparticle self-energy. We also present results for the many-body effective mass enhancement and the renormalization constant over a broad range of electron densities. In this respect we critically examine the relative merits of the on-shell approximation, commonly used in weak coupling situations versus the actual self-consistent solution of the Dyson equation. We show that already for ${r}_{s}\ensuremath{\simeq}3$ and higher, a solution of the Dyson equation proves necessary in order to obtain a well-behaved effective mass. Finally we find confirmation that the inclusion of both charge- and spin-density fluctuations beyond the random phase approximation is indeed crucial to get reasonable agreement with recent measurements.