DPG Phi
Verhandlungen
Verhandlungen
DPG

Regensburg 2019 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

TT: Fachverband Tiefe Temperaturen

TT 2: Correlated Electrons: Electronic Structure Calculations and Other Theoretical Topics

TT 2.5: Vortrag

Montag, 1. April 2019, 10:30–10:45, H7

Correlated electronic structure with uncorrelated disorder — •Andreas Östlin1, Levente Vitos2,3,4, and Liviu Chioncel5,11Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Germany — 2KTH Royal Institute of Technology, Stockholm, Sweden — 3Uppsala University, Sweden — 4Wigner Research Center for Physics, Budapest, Hungary — 5Augsburg Center for Innovative Technologies, University of Augsburg, Germany

We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of the particularly simple parameterization of the electron Green's function within the linearized muffin-tin orbitals method, we show that it is possible to greatly simplify the embedding of the self-energy. This in turn facilitates the implementation of the coherent potential approximation, which is used to model the substitutional disorder. The computational technique is tested on the Cu-Pd binary alloy system, and for disordered Mn-Ni interchange in the half-metallic NiMnSb.

100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2019 > Regensburg