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

被引：175

作者：

Even, J. ^{[1
]}

Pedesseau, L. ^{[1
]}

Dupertuis, M. -A. ^{[2
]}

Jancu, J. -M. ^{[1
]}

Katan, C. ^{[1
,3
]}

机构：

[1] Univ Europeenne Bretagne, INSA, FOTON, UMR 6082, F-35708 Rennes, France

[2] Ecole Polytech Fed Lausanne, Lab Quantum Optoelect, CH-1015 Lausanne, Switzerland

[3] Inst Sci Chim Rennes, CNRS, UMR 6226, F-35042 Rennes, France

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 20期

关键词：

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

D O I：

10.1103/PhysRevB.86.205301

中图分类号：

T [工业技术];

学科分类号：

08 ;

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.

引用

页数：4

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