Regensburg 2019 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 25: Disordered Quantum Systems
TT 25.1: Talk
Tuesday, April 2, 2019, 09:30–09:45, H23
Ab-initio typical-medium single-site theory for disordered systems — •Liviu Chioncel1, Andreas Östlin2, Levente Vitos3, Voicu Popescu4, Krzysztof Byczuk5, Hanna Terletska6, Yi Zhang7, Mark Jarrell7, and Dieter Vollhardt2 — 1ACIT, Uni-Augsburg,Germany — 2EKM, TP III, Uni-Augsburg,Germany — 3KTH, Stockhom, Sweden — 4LMU, Muenchen, Germany — 5Uni Warsaw, Poland — 6Middle Tennessee State University, USA — 7Louisiana State University, USA
We introduce a self-consistent method to perform electronic structure calculations of disordered systems. The approach employs the single-site typical medium theory and is formulated in the language of multiple scattering. We present the formalism, implementation details and applications for realistic materials in which we find characteristics of Anderson localization, i.e., extended states and localized levels in different regions of the impurity bands.