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Dresden 2020 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 61: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions III (joint session O/CPP/DS/HL)

Mittwoch, 18. März 2020, 10:30–13:30, GER 38

10:30 O 61.1 Hauptvortrag: Hybrid Perovskites: polarons, excitons and phase diagrams — •Georg Kresse, Menno Bokdam, and Ryosuke Jinnouchi
11:00 O 61.2 Assessing ab-initio methodology to compute electronic properties of organic-inorganic metal halide perovskites — •Cecilia Vona, Dmitrii Nabok, and Claudia Draxl
11:15 O 61.3 Rashba-Dresselhaus Effect in Two Dimensional Layered Halide Perovskites — •Benedikt Maurer, Claudia Draxl, and Christian Vorwerk
11:30 O 61.4 Intrinsic polarons on polar surfaces — •Michele Reticcioli, Zhichang Wang, Igor Sokolovic, Michael Schmid, Ulrike Diebold, Martin Setvin, and Cesare Franchini
11:45 O 61.5 Polarons in extended p-conjugated systems: the role of electron correlation. — •Daniele Fazzi, Klaus Meerholz, and Fabrizia Negri
12:00 O 61.6 Optical and x-ray absorption spectra of MgO from first-principles including many-body effects — •Vijaya Begum, Markus E Gruner, and Rossitza Pentcheva
12:15 O 61.7 Strain effects on the lattice-dynamical properties of titanium dioxide — •Peter Weber, Sebastian Tillack, Pasquale Pavone, and Claudia Draxl
12:30 O 61.8 Ab-initio phonon self-energies and fluctuation diagnostics of phonon anomalies: lattice instabilities from Dirac pseudospin physics in transition-metal dichalcogenides — •Jan Berges, Erik van Loon, Arne Schobert, Malte Rösner, and Tim Wehling
12:45 O 61.9 Toward a general non-local polarizability density functional for van der Waals dispersion interactions — •Szabolcs Góger, Dmitry Fedorov, Péter Szabó, and Alexandre Tkatchenko
13:00 O 61.10 Insights into van der Waals interactions from the quantum Drude oscillator model — •Dmitry Fedorov, Martin Stöhr, and Alexandre Tkatchenko
13:15 O 61.11 Conical intersections in molecular systems: 3D vs 2D models — •Erik Pillon, Dmitry Fedorov, Péter Szabó, and Alexandre Tkatchenko
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