Berlin 2018 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 38: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VIII (joint session O/TT/MM/DS/CPP)

Freitag, 16. März 2018, 10:30–12:45, HL 001

Organizers: Silke Biermann, Ecole Polytechnique, Palaiseau cedex, France; Paul R. Kent, Oak Ridge National Laboratory, USA; Matthias Scheffler, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

(Synopsis provided with part I of this session)

10:30 DS 38.1 Ab initio photoluminescence in 2D materials — •Pedro Melo, Andrea Marini, Matthieu Verstraete, and Zeila Zanolli
10:45 DS 38.2 Strain on molybdenum disulfide sheets with defects from first principles — •Mohammad Bahmani, Mahdi Faghihnasiri, and Thomas Frauenheim
  11:00 DS 38.3 The contribution has been withdrawn.
11:15 DS 38.4 Electron correlation effects in the electronic structure of 4f-atoms adsorbed on metal and Graphene substrates — •Alexander B. Shick, Dmitry S. Shapiro, and Alexander I. Lichtenstein
11:30 DS 38.5 Interlayer trions in the MoS2/WS2 van der Waals heterostructure — •Thorsten Deilmann and Kristian Sommer Thygesen
11:45 DS 38.6 The optimal one dimensional periodic table: a modified Pettifor chemical scale from data mining — •Miguel Marques and Antonio Sanna
12:00 DS 38.7 Novel two-dimensional topological insulators from first principles materials screening — •Thomas Olsen and Kristian Thygesen
12:15 DS 38.8 Nanoparticles Classification with Self-Organisation Map (SOM) on 3D Electrostatic Potential Surface (EPS) — •Baichuan Sun and Amanda Barnard
12:30 DS 38.9 Regulation of structure and high thermoelectric performance of 1D SnTe via encapsulation within single-walled carbon nanotubeAndrij Vasylenko, •Jamie Wynn, Sam Marks, Paulo V. C. Medeiros, Quentin M. Ramasse, Andrew J. Morris, Jeremy Sloan, and David Quigley
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