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Bowing of transport gap in hybrid halide perovskite alloys (CH3NH3Sn1−xPbxI3): Which band is responsible?
Applied Physics Letters ( IF 3.597 ) Pub Date : 2020-01-03 , DOI: 10.1063/1.5134749
Salma Khatun, Abhishek Maiti, Amlan J. Pal

Apart from being a unique material for efficient solar cells, hybrid halide perovskites possess more mysteries than ever. An anomalous bandgap behavior in CH3NH3Sn1−xPbxI3 alloys has been reported recently [Hao et al., J. Am. Chem. Soc. 136, 8094 (2014)], in which the composition-dependent optical bandgap follows nonmonotonic and nonlinear characteristics instead of a linear trend or Vegard's law; the bandgap of the intermediate compounds was lower than that of the end members. In this article, we study composition-dependent conduction and valence band energies through scanning tunneling spectroscopy to deliberate on the role of the two bands in the bandgap bowing phenomenon and the underlying mechanism. We observe a nonlinear behavior of the two bands with respect to the alloy composition, leading to an anomalous behavior in the transport gap as well. We confirm that two competing events, namely, a spin–orbit coupling parameter appearing due to inclusion of a high-Z material and structural distortion affecting molecular orbitals responsible for the formation of the valence and the conduction bands, result in bandgap bowing in CH3NH3Sn1−xPbxI3 alloys.
更新日期:2020-01-10

 

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