Dresden 2020 – wissenschaftliches Programm
Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
MA: Fachverband Magnetismus
MA 59: Posters Magnetism III
MA 59.31: Poster
Freitag, 20. März 2020, 09:00–12:00, P2/EG
Interplay of chemical disorder and layer native defects within topological insulators — •Jakub Šebesta and Karel Carva — Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Ke Karlovu 5 121 16 Praha 2, The Czech Republic
Material can host several kinds of native defects, which includes chemical defects as well as structural defects. In general, it leads to the modification of their physical properties including magnetic and transport ones. Therefore, in the present work based on ab-initio calculations we focus on the influence of the layer defects, namely the experimentally evidenced twinning planes, on the properties of the well known bismuth chalcogenide topological insulators Bi2Se3 and on their interplay with point defects concerning not only the native ones but also magnetic doping. We employ the TB-LMTO-ASA method based on the layered Green’s functions, which allows us to treat the chemical disorder efficiently in the framework of the CPA. The distribution of the twinning planes within multilayer sample is discussed together with the dependence of their formation energy in relation to the type of the point defects and their concentration. Furthermore, the interplay between layer defects and magnetic dopants and their magnetism is emphasized. Finally, the impact of the presence of the structure defects on the electron structure, particularly on the surface states and on the surface gap, is estimated.