Publication date: Apr 11, 2022
The formation of large polarons has been proposed as reason for the high defect tolerance, low mobility, low charge carrier trapping and low nonradiative recombination rates of lead halide perovskites. Recently, direct evidence for large-polaron formation has been reported from a 50% effective mass enhancement in angle-resolved photoemission of CsPbBr₃ over theory for the orthorhombic structure. We present in-depth band dispersion measurements of CsPbBr₃ and GW calculations which lead to almost identical effective masses at the valence band maximum of 0.203+/-0.016 m₀ in experiment and 0.217 m₀ in orthorhombic theory. We argue that the effective mass can be explained solely on the basis of electron-electron correlation and large polaron formation cannot be concluded from photoemission data.
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CsPbBr3.tar.gz
MD5md5:9a099cc340a2a91f810e4aff592dca3f
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565.2 MiB | Calculation data, inputs and outputs |
README.txt
MD5md5:96e7b388d4f6fd2a2c913cc607bfb036
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4.6 KiB | Description of the versions of codes used for calculation and details about input and output files |
2022.51 (version v1) [This version] | Apr 11, 2022 | DOI10.24435/materialscloud:93-j5 |