Even, J.Pedesseau, L.Dupertuis, M.-A.Jancu, J.-M.Katan, C.2013-02-272013-02-272013-02-27201210.1103/PhysRevB.86.205301https://infoscience.epfl.ch/handle/20.500.14299/89269WOS:000310684900009Based on density functional theory, the electronic and optical properties of hybrid organic/perovskite crystals are thoroughly investigated. We consider the monocrystalline 4F-PEPI as material model and demonstrate that 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.text::journal::journal article::research article