Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites

Jun Yin, Partha Maity, Liangjin Xu, Ahmed El-Zohry, Hong Li, Osman Bakr, Jean-Luc Brédas, Omar F. Mohammed

Research output: Contribution to journalArticlepeer-review

93 Scopus citations


The strong spin-orbit coupling (SOC) in perovskite materials due to the presence of heavy atoms induces interesting electron-ic characteristics, such as Rashba band splitting. In spite of several recent reports on Rashba effects in 2D perovskites, the impacts of the nature of surface termination and of the number of inorganic layers on the extent of Rashba band splitting still remain to be determined. Here, using a combination of density functional theory (DFT) calculations and time-resolved laser spectroscopy, we provide a comprehensive understanding of the Rashba band splitting of the prototype 3D MAPbI3 and of 2D Ruddlesden-Popper (RP) hybrid perovskites. We demonstrate that significant structural distortions associated with different surface terminations are responsible for the observed Rashba effect in 2D perovskites. Interestingly, our theo-retical and experimental data clearly indicate that the intrinsic Rashba splitting occurs in the perovskite crystals with an even number of inorganic layers (n = 2), but not for the ones with an odd number of layers (n = 1 and n = 3). These findings not only provide a possible explanation for the elongated electron-hole recombination in perovskites but also elucidate the sig-nificant impact of the number of inorganic layers on the electronic properties of 2D perovskites.
Original languageEnglish (US)
Pages (from-to)8538-8545
Number of pages8
JournalChemistry of Materials
Issue number23
StatePublished - Oct 12 2018

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the King Abdullah University of Science and Technology (KAUST) and by the Georgia Research Alliance and Vasser-Woolley Foundation through the chair in Molecular Design at the Georgia Institute of Technology. We acknowledge the Supercomputing Laboratory at KAUST for their computational and storage resources as well as their gracious assistance.


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