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The contribution has been withdrawn.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 nanotube — Andrij Vasylenko, •Jamie Wynn, Sam Marks, Paulo V. C. Medeiros, Quentin M. Ramasse, Andrew J. Morris, Jeremy Sloan, and David Quigley
|
|
|