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Europhysics Letters (EPL)

Correlations in two-dimensional electron gas: Random-phase approximation with exchange and ladder results

Francesco Pederiva, E. Lipparini, K Takayanagi

Published Dec 15, 1997• 6 citations
Publisher

Abstract

We have evaluated the density-density response of the two-dimensional electron gas at zero temperature by solving the Dyson equation for the particle-hole Green's function, including exchange Coulomb matrix elements and short-range contributions in the ladder approximation. We study the effect of these correlations on the total energy, compressibility per particle, local field factor G ( q ), static structure factor and pair-correlation function. Results are compared with the normal random-phase approximation, local field theories and quantum Monte Carlo calculations.

DOI
10.1209/epl/i1997-00511-0

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We have evaluated the density-density response of the two-dimensional electron gas at zero temperature by solving the Dyson equation for the particle-hole Green's function, including exchange Coulomb matrix elements and short-range contributions in the ladder approximation. We study the effect of these correlations on the total energy, compressibility per particle, local field factor G ( q ), static structure factor and pair-correlation function. Results are compared with the normal random-phase approximation, local field theories and quantum Monte Carlo calculations.
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.
We discuss interaction effects for the one-dimensional electron gas with a repulsive \ensuremath{\delta}-function interaction potential by using the random-phase approximation and a local-field correction. Analytical results for the local-field correction of charge-density fluctuations and spin-density fluctuations are obtained. The ground-state energy is found to be in better agreement with the exact result than the ground-state energy calculated within the random-phase approximation. We calculate the pair-correlation functions for electrons with parallel and antiparallel spins and the paramagnetic susceptibility. The energies of the collective density modes ${\mathrm{\ensuremath{\omega}}}_{\mathrm{d}}$ (q) and the collective spin modes ${\mathrm{\ensuremath{\omega}}}_{\mathrm{s}}$ (q) are calculated and compared with the energy of the electron-hole excitations ${\mathrm{\ensuremath{\omega}}}_{\mathrm{eh}\ifmmode\pm\else\textpm\fi{}}$ (q): ${\mathrm{\ensuremath{\omega}}}_{\mathrm{d}}$ (q\ensuremath{\rightarrow}0)>${\mathrm{\ensuremath{\omega}}}_{\mathrm{eh}\ifmmode\pm\else\textpm\fi{}}$ (q\ensuremath{\rightarrow}0)>${\mathrm{\ensuremath{\omega}}}_{\mathrm{s}}$ (q\ensuremath{\rightarrow}0). The critical exponents for the long-distance behavior of correlation functions are found to be described by local-field corrections. We compare our results for the critical exponents with recent results obtained by bosonization techniques and the conformal field theory.
The effects of short-range correlations on the properties of the electron gas are studied using an approach phrased in the polarization potential language of Pines and Nozi\`eres. It was argued by Lowy and Brown that two-body terms make up the dominant contribution to the effective interaction for large momentum transfers. In the region of small-momentum transfers it is known that the random-phase approximation provides an adequate picture of the electron gas. With these two regions of large- and small-momentum transfers in mind, a polarization propagator is constructed to interpolate between them. A number of sum rules, among them the fff-sum rule, involving the imaginary part of the polarization propagator, were found to be satisfied. The failure of our theory to satisfy the compressibility sum rule is discussed in detail. We present here the results for the local ttt-matrix, the dynamic and static form factors, and the pair correlation function. That our pair-correlation function remains positive and is essentially the same as in the paper of Lowy and Brown indicates that the physics and not the formalism is responsible for the results we obtain.
Thermodynamic properties of the interacting homogeneous electron gas are calculated using a finite-temperature cumulant Green's function approach over a broad range of densities and temperatures up to the warm dense matter regime $T\ensuremath{\sim}{T}_{F}$, where TF{T}_{F}TF​ is the Fermi degeneracy temperature. These properties can be separated into independent particle and exchange-correlation contributions, and our focus here is on the latter. Our approach is based on the Galitskii-Migdal-Koltun and electron number sum rules from the finite temperature many-body Green's function formalism, together with an extension of the cumulant Green's function to finite temperature. Previously this approach yielded exchange-correlation energies and potentials in good agreement with quantum Monte-Carlo calculations. Here the method is extended for various thermodynamic quantities including the chemical potential, total energy, Helmholtz free-energy, electronic equation of state, specific heat, and isothermal compressibility, which optionally include spin dependence. We find that the exchange-correlation contributions are weakly varying at low temperature but exhibit significant temperature dependence in the WDM regime, as well as a crossover from exchange- to correlation-dominated behavior. In contrast to the T=0+T={0}^{+}T=0+ limit, we also find that renormalization effects are largely but not completely suppressed at finite temperature. Comparisons with other approaches at various levels of approximation are also discussed.
Variational and fixed-node Green's-function Monte Carlo calculations have been performed to find the ground-state properties of the two-dimensional electron gas in the density range 1\ensuremath{\le}rs{r}_{s}rs​\ensuremath{\le}100. Our calculations predict a Wigner crystallization at the density rs{r}_{s}rs​\ensuremath{\simeq}37\ifmmode\pm\else\textpm\fi{}5. The electron system is found to be in the normal- (paramagnetic) fluid state below the transition density, but the fully polarized state is very close in energy. We have tabulated the values of pair distribution function g(r), the static structure factor S(k), and the momentum distribution n(k) at several densities of interest both in the normal and the polarized phases. An estimate of the spin susceptibility \ensuremath{\chi} is also given.