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Physical review. B, Condensed matter

Dynamic response of a two-dimensional electron gas: Exact treatment of Coulomb exchange in the random-phase approximation

K. Takayanagi, E. Lipparini

Published Jul 15, 1995• 15 citations
Publisher

Abstract

The Dyson equation for the particle-hole Green's function, including Coulomb exchange matrix elements, has been solved exactly for a two-dimensional electron gas. Static and dynamic dielectric functions have been calculated and compared with normal random-phase-approximation and recent quantum Monte Carlo results.
DOI
10.1103/physrevb.52.1738

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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.
The dynamic structure function S(k,\ensuremath{\omega}) and the dielectric function \ensuremath{\epsilon}(k,\ensuremath{\omega}) of the two-dimensional electron gas is calculated phenomenologically at rs{\mathit{r}}_{\mathit{s}}rs​=1 and 5 in the memory-function formalism. The density-density response function \ensuremath{\chi}(k,\ensuremath{\omega}) is expressed in terms of that of a noninteracting system and an effective potential. The interaction part of the second-order memory function that determines the effective potential is approximated by a Gaussian in time domain. We use a consistent set of highly accurate ground-state static properties as input, coming from a Green's-function Monte Carlo calculation. The calculated S(k,\ensuremath{\omega}) shows a single-broad-peak structure at intermediate k, which is from the case in three dimensions.
The dielectric response of a quasi-one-dimensional system of interacting electrons has been investigated. In the authors' model the particles move freely in one direction and are tightly bound in the transverse direction. Calculation of the Coulomb matrix elements leads to an effective one-dimensional electron-electron interaction nu (q) which is less singular for small q than the 1/q 2 potential assumed by previous authors. As a result, the excitonic instability which they find even for a rigid positive background does not arise in their calculation. The calculations are based on the approximation of Singwi, Tosi, Land and Sjolander (1968). As expected in this approach, the pair correlation function at small distances remains positive over a much larger range of densities than that for which the compressibility sum rule is satisfied. The static dielectric function is negative around q=2k F , which suggests the possibility of charge ordering when the background is allowed to be polarisable. If nu (q) is replaced by a delta -function potential, a numerical calculation of the energy for the exact solution of Yang may be made. On comparison with the result obtained with the method of Singwi et al. it is found that the approximate scheme gives good correlation energies for high densities.
The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation field, which acts on the Green function locally in both space and time. It was found that there exists a fundamental quantity, referred to as the dynamical exchange-correlation hole, which can be interpreted as effective density fluctuations induced in a many-electron system when a hole or an electron is introduced into the system, as in photoemission and inverse photoemission experiments. The dynamical exchange-correlation potential is simply the Coulomb potential of this exchange-correlation hole, which fulfils a sum rule and an exact constraint, identical to those satisfied by the static exchange-correlation hole in density-functional theory. The proposed formalism has been applied to a number of model systems such as the half-filled one-dimensional Hubbard model, the one-dimensional antiferromagnetic Heisenberg model, and the single-impurity Anderson model. The dynamical exchange-correlation hole and field of the homogeneous electron gas have also been studied with the view of constructing a density-functional approximation such as the local-density approximation. The availability of simple but accurate approximations for the exchange-correlation potential would circumvent costly computations of the traditional self-energy. The formalism may also provide new perspectives and insights into the many-body problem.
The correlation energy of an inhomogeneous electron gas is ruled by the density correlation function LLL. It obeys a Bethe-Salpeter equation (BSE), whose kernel is the functional derivative of the particle self-energy. It is solved on equal footing for two-particle and single-particle Green's functions within Hedin's GW approximation. According to the Hartree and exchange-correlation contributions to the kernel, the correlation expression decays into random-phase-approximation (RPA) -like and screened-exchange-like parts. The actual treatment of the screened potential WWW in the BSE for LLL leads to different second-order screened exchange corrections (SOSEX). Including correlation in the kernel even yields approximations beyond SOSEX. The progress beyond RPA is illustrated for spinless and spin-polarized homogeneous electron gases, indicating that the screening treatment is substantial.
An approach for particle-hole correlation functions, based on the so-called self-consistent random-phase approximation is developed. This leads to a fully self-consistent RPA-like theory that satisfies the fff-sum rule and several other theorems. As a first step, a simpler self-consistent approach, the renormalized RPA, is solved numerically in the one-dimensional Hubbard model. The charge and the longitudinal spin susceptibility, the momentum distribution, and several ground-state properties are calculated and compared with the exact results. Especially at half-filling, our approach provides quite promising results and matches the exact behavior apart from a general prefactor. The strong-coupling limit of our approach can be described analytically.