Dynamical exchange corrections to the dielectric function in a two-dimensional electron gas

The effect of dynamical exchange interactions on the dielectric function of a two-dimensional electron gas is studied using a variational approach. Exchange effects are introduced via the local-field correction. The variationally obtained local-field factor is compared to the earlier perturbative result to first order in the electron-electron interaction.     

Dynamical exchange effects in the dielectric function of the two-dimensional electron gas

Dynamical exchange interactions can be introduced in the dielectric function via a dynamic local field factor. We study the effects of this inclusion on both the static and the frequency dependent dielectric function of a two-dimensional electron gas, using the dynamic local field factor that we derived recently via the dynamical exchange decoupling method. The results are compared with the dielectric function in the Random Phase Approximation and with different dynamic and static approximations of the local field factor.Received: 7 May 2003, Published online: 22 September 2003PACS: 71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons - 77.22.Ch Permittivity (dielectric function) - 77.55.+f Dielectric thin filmsJ.T. Devreese: , jtd@uia.ua.ac.be     

Dynamical exchange effects in a two-dimensional many-polaron gas

We calculate the influence of dynamical exchange effects on the response properties and the static properties of a two-dimensional many-polaron gas. These effects are not manifested in the random-phase approximation which is widely used in the analysis of the many-polaron system. Here they are taken into account by using a dielectric function derived in the time-dependent Hartree-Fock formalism. At weak electron-phonon coupling, we find that dynamical exchange effects lead to substantial corrections to the random-phase approximation results for the ground state energy, the effective mass, and the optical conductivity of the polaron system. Furthermore, we show that the reduction of the spectral weight of the optical absorption spectrum at frequencies above the longitudinal optical phonon frequency, due to many-body effects, is overestimated by the random-phase approximation.Received: 24 December 2003, Published online: 9 April 2004PACS: 71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons - 71.10.Pm Fermions in reduced dimensions (anyons, composite fermions, Luttinger liquid, etc.) - 71.38.Fp Large or Fröhlich polarons     

The rutile TiO2 (110) surface: obtaining converged structural properties from first-principles calculations

We investigate the effects of constraining the motion of atoms in finite slabs used to simulate the rutile TiO2 (110) surface in first-principles calculations. We show that an appropriate choice of fixing atoms in a slab eliminates spurious effects due to the finite size of the slabs, leading to a considerable improvement in the simulation of the (110) surface. The method thus allows for a systematic improvement in convergence in calculating both geometrical and electronic properties. The advantages of this approach are illustrated by presenting the first theoretical results on the displacement of the surface atoms in agreement with experiment.     

Dynamical exchange corrections to the dielectric function in a two-dimensional electron gas

The effect of dynamical exchange interactions on the dielectric function of a two-dimensional electron gas is studied using a variational approach. Exchange effects are introduced via the local-field correction. The variationally obtained local-field factor is compared to the earlier perturbative result to first order in the electron-electron interaction.