Electronic model for self-assembled hybrid organic/perovskite semiconductors: Reverse band edge electronic states ordering and spin-orbit coupling

By J. Even, L. Pédesseau, M. Dupertuis, J. Jancu, C. Katan. 2012

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Based 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.

Subfields: Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/c2867a641f1f93ec2c16f8fa78968dd1910c193e