1209.3195 (J. Even et al.)

An electronic model for self-assembled hybrid organic/perovskite
semiconductors: reverse band edge electronic states ordering and spin-orbit
coupling    [PDF]

J. Even, L. Pedesseau, M. -A. Dupertuis, J. -M. Jancu, C. Katan

Based on density functional theory, the electronic and optical properties of hybrid organic/perovskite crystals are thoroughly investigated. We consider the mono-crystalline 4FPEPI as material model and demonstrate the optical process is governed by three active Bloch states at the {\Gamma} point of the reduced Brillouin zone with a reverse ordering compared to tetrahedrally bonded semiconductors. Giant spin-orbit coupling effects and optical activities are subsequently inferred from symmetry analysis.

View original: http://arxiv.org/abs/1209.3195