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Communication Dans Un Congrès Année : 2013

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

Résumé

We herein investigate theoretically both 2D and 3D Hybrid Organic/inorganic perovskite 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-NH 3 ) n PbX m , 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.

Dates et versions

hal-01162134 , version 1 (09-06-2015)

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Laurent Pedesseau, Jean-Marc Jancu, Alain Rolland, Emmanuelle Deleporte, Claudine Katan, et al.. Electronic properties of 2D hybrid organic/inorganic perovskites for optoelectronic applications. 13th International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD'13), Aug 2013, Vancouver, Canada. pp.1225-1232, ⟨10.1007/s11082-013-9823-9⟩. ⟨hal-01162134⟩

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