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

Article

关键词: PHASE-TRANSITIONS;    (CNH2N+1NH3)(2)PBI4;    PEROVSKITES;   

DOI  :  10.1103/PhysRevB.86.205301

来源: SCIE

【 摘 要 】

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.

【 授权许可】

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