Dr. Andreas Oestlin

02. новембра 2018.

У оквиру СЦЛ семинара Центра за физику комплексних система, у четвртак, 8. новембра 2018. године у 14 часова, у читаоници Института за физику „Др Драган Поповић“, Dr. Andreas Oestlin (Institute of physics, University of Augsburg, Germany), одржаће предавање:

Disorder and Correlation for Realistic Materials: a LDA+DMFT and CPA Approach


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, 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.