Dresden 2017 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 41: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - IV

Mittwoch, 22. März 2017, 10:30–13:00, GER 38

10:30 MM 41.1 Hauptvortrag: Electronic excitations in 2D materials and heterostructures — •Kristian Sommer Thygesen
11:00 MM 41.2 Charge and energy transport at the nanoscale: A DFT perspective — •Florian G. Eich, Fabio Covito, and Angel Rubio
11:15 MM 41.3 Conductance of aromatic and antiaromatic molecular circuitsNarendra P. Arasu and •Héctor Vázquez
11:30 MM 41.4 Current-induced cooling of Carbene-based molecular junctions: role of electrodes structure — •Giuseppe Foti and Héctor Vázquez
11:45 MM 41.5 DFTB-based recursive Green’s function algorithms for electron transport in quasi-1D systems — •Fabian Teichert, Andreas Zienert, Jörg Schuster, and Michael Schreiber
12:00 MM 41.6 Conditions for formation of two-dimensional electron gas at the LaFeO3/SrTiO3 — •Igor Maznichenko, Sergey Ostanin, Arthur Ernst, Ingrid Mertig, Katayoon Mohseni, Holger L. Meyerheim, Eberhard K.U. Gross, Pengfa Xu, Wei Han, Philip M. Rice, Jaewoo Jeong, Mahesh G. Samant, and Stuart S.P. Parkin
12:15 MM 41.7 Thermal Renormalization of the Electronic Structure: Trends across Chemical and Structural Space — •Honghui Shang, Christian Carbogno, Patrick Rinke, and Matthias Scheffler
12:30 MM 41.8 Spin-wave excitations and electron-magnon scattering from many-body perturbation theory — •Mathias C.T.D. Müller, Christoph Friedrich, and Stefan Blügel
12:45 MM 41.9 Charged supercells revised: Small Polarons in Oxides with proper account for long-range polarization — •Sebastian Kokott, Sergey V. Levchenko, and Matthias Scheffler
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