Journal
APPLIED PHYSICS LETTERS
Volume 116, Issue 1, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.5134749
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Funding
- JC Bose National Fellowship of SERB [SB/S2/JCB-001/2016]
- CSIR Fellowship [09/080(1054)/2017-EMR-I, 523092]
- DST INSPIRE Fellowship [IF 170922]
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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.
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