Julian Gebhardt: Ab initio modeling of perovskite materials and two-dimensional organic networks
- Datum: 20.12.2016
- Uhrzeit: 14:00 - 15:00
- Vortragende(r): Julian Gebhardt
- University of Pennsylvania, USA
- Ort: CFEL (Bldg. 99)
- Raum: Seminar Room I, EG.076
- Gastgeber: Angel Rubio
As a second topic, I would like to present some work on the multiferroic BiFeO3, a material of high technological potential, which significance in electronics is currently limited by the lack of successfully p-doped modifications. Investigating a broad set of possible dopants, we clarify the doping mechanism and identify best suited target metals for substitutional cation doping.
Furthermore, we study the influence that oxygen vacancy formation has on such doped BiFeO3 materials and vice versa.
Last, some interdisciplinary work on the surface assisted, controlled synthesis of two-dimensional networks via bottom-up synthesis from designed, small organic precursors will be presented. The experimentally observed electronic structure is analyzed and explained based on theoretical results, focusing on the changes induced by increasing the dimensionality from 0D monomers over 1D structures towards extended 2D networks.