Electronic properties of 2D and 3D hybrid organic/inorganic perovskites for optoelectronic and photovoltaic applications

Abstract : We herein investigate theoretically both 2D and 3D Hybrid Organic/inorganic Perovskite (HOP) crystal structures based on Density Functional Theory (DFT) calculations and symmetry analyses. Our findings reveal the universal features of the electronic band structure for the class of lead-halide hybrids (R-NH3)nPbXm, where (n,m)=(2,4) and (1,3) respectively for 2D and 3D structures. Among those, the large spin-orbit coupling acting on the conduction band is shown to play a major role on the band gap of these materials. Moreover, this approach can easily be generalized to related layered and 3D hybrids, thus providing a clear-sighted inside in their electronic and optical properties.
Liste complète des métadonnées

Cited literature [14 references]  Display  Hide  Download

https://hal.archives-ouvertes.fr/hal-00920131
Contributor : Soline Boyer <>
Submitted on : Tuesday, December 17, 2013 - 5:46:31 PM
Last modification on : Monday, February 25, 2019 - 3:14:09 PM
Document(s) archivé(s) le : Tuesday, March 18, 2014 - 5:31:39 AM

Files

OQE_LP_revised_01.pdf
Files produced by the author(s)

Identifiers

Relations

Citation

Laurent Pedesseau, Jean-Marc Jancu, Alain Rolland, Emmanuelle Deleporte, Claudine Katan, et al.. Electronic properties of 2D and 3D hybrid organic/inorganic perovskites for optoelectronic and photovoltaic applications. Optical and Quantum Electronics, Springer Verlag, 2014, 46 (10), pp.1225-1232. ⟨http://link.springer.com/article/10.1007%2Fs11082-013-9823-9⟩. ⟨10.1007/s11082-013-9823-9⟩. ⟨hal-00920131⟩

Share

Metrics

Record views

695

Files downloads

1858