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TT: Fachverband Tiefe Temperaturen

TT 19: Correlated Electrons: (General) Theory 2

TT 19.4: Vortrag

Dienstag, 27. März 2012, 10:15–10:30, H 3010

Dynamical screening effects in correlated materials — •Silke Biermann — CPHT Ecole Polytechnique, Palaiseau, France

Materials with strong Coulomb correlations are challenges for electronic structure calculations. During the last years new methods for their description have been developed. The combination of dynamical mean field (DMFT) techniques with density functional theory within the local density approximation (LDA) allows for the calculation of electronic properties of materials from first principles, taking into account the effect of arbitrarily strong Coulomb interactions. We will describe recent developments to include dynamical screening effects into such calculations [1,2]. Based on an ab initio determination of the frequency-dependent local Coulomb interactions within the constrained random phase approximation [3,4] we discuss satellite features and spectral weight transfers associated to plasmon and electron-hole excitations.
M. Casula, A. Rubtsov, S. Biermann, submitted, arXiv:1107.3123
Ph. Werner, M. Casula, T. Miyake, F. Aryasetiawan, A. Millis, S. Biermann, submitted, arXiv:1107.3128
F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, and A. I. Lichtenstein Phys. Rev. B 70, 195104 (2004).
L. Vaugier, H. Jiang, S. Biermann, in preparation.