Vortragender: Julian Gebhardt Raum: Seminar Room I, EG.076 Gastgeber: Angel Rubio

Julian Gebhardt: Ab initio modeling of perovskite materials and two-dimensional organic networks

MPSD Seminar
Perovskite materials with stoichiometry ABX3 are a rich family of ionic compounds with many technological interesting properties. They can be traditional inorganic, metal per- ovskites or hybrid perovskites with one organic cation. In this talk I want to discuss some results of a special modification of the latter kind, the so-called layered perovskites. This family of structures is currently rediscovered, and we report on the geometrical and electronic structure of one promising candidate ((C6H5C2H4NH3)2PbI4) with phenethylammonium cations on the A-site and compare the differences towards the benchmark case of three-dimensional (3D) hybrid perovskites, CH3PbI3. The influence of varying the cation as well as changing the dimensionality from 3D to 2D systems is discussed by comparing bulk and monolayer structures of both systems. In addition, insight into the optical behavior and the observed electron-phonon coupling will be given. [mehr]
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