Regensburg 2019 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

HL: Fachverband Halbleiterphysik

HL 12: HL Poster I

HL 12.20: Poster

Montag, 1. April 2019, 17:30–20:00, Poster E

First principles study of Ta₂NiSe₅, a possible candidate excitonic insulator, using GW and hybrid functional approaches — •Lukas Windgätter, Simone Latini, Hannes Hübener, and Angel Rubio — Max Planck Institut für die Struktur und Dynamik von Materie

The idea of the excitonic insulator scenario, which describes the electron-hole condensation in thermal equilibrium, was originally proposed by X. Jerome et al. in 1967. It is expected to occur in semiconducting materials with a very small bandgap of a few milli electron volt. Recently it has attracted renewed interest with the discovery of several materials with experimental signature of equilibrium exciton condensation. In this context we are investigating Ta₂NiSe₅, which has shown to be a promising candidate in recent publications, using ab-initio methods. We present results using DFT hybrid functionals as well as ab-initio GW calculations.