Unravelling the band splitting origin in bulk and 2D distorted α-CsPbI perovskite

Organic-inorganic hybrid perovskites have demonstrated versatile functionalities for optoelectronic, spintronic, and other applications. This Research focuses on the impact of structural distortion on band splitting and spintronic properties of bulk and 2D α-CsPbI 3 for the first time. CsI- and PbI...

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Published in:Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (2), p.1182-1189
Main Authors: Nazari, Safieh, Dezashibi, Fatemeh Mohammad, Bidmeshki, Nadia Babaei
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Summary:Organic-inorganic hybrid perovskites have demonstrated versatile functionalities for optoelectronic, spintronic, and other applications. This Research focuses on the impact of structural distortion on band splitting and spintronic properties of bulk and 2D α-CsPbI 3 for the first time. CsI- and PbI 2 -slabs were considered to reveal the role of surface termination on band splitting. It was shown that displacements in different site symmetries can lead to various band splittings. Finally, to adjust the band splitting, the external field was considered. The results unravel the polarization compensation owing to the distortion. Spin band splitting engineering of halide perovskites' role in controlling the recombination rate of charge carriers.
ISSN:1463-9076
1463-9084
DOI:10.1039/d3cp04558g