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arXiv · 1209.3195

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

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

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 Γ 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.

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J. Even, L. Pedesseau, M. -A. Dupertuis, J. -M. Jancu, C. Katan. 2012-09-14. An electronic model for self-assembled hybrid organic/perovskite semiconductors: reverse band edge electronic states ordering and spin-orbit coupling. https://doi.org/10.1103/physrevb.86.205301

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