Maryam Sajedi^1,2*, Maxim Krivenkov^1*, Dmitry Marchenko^1*, Jaime Sánchez-Barriga^1*, Anoop K. Chandran^3*, Andrei Varykhalov^1*, Emile D. L. Rienks^1*, Irene Aguilera^4*, Stefan Blügel^3*, Oliver Rader^1*

1 Helmholtz-Zentrum Berlin für Materialien und Energie, Albert-Einstein-Str. 15, 12489 Berlin, Germany

2 Institut für Physik und Astronomie, Universita ̈t Potsdam, Karl-Liebknecht-Str. 24/25, 14476 Potsdam, Germany

3 Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Ju ̈lich and JARA, 52425, Jülich Germany

4 Institute of Energy and Climate Research IEK-5 Photovoltaics, Forschungszentrum Ju ̈lich, 52425 Juelich, Germany

* Corresponding authors emails: maryam.sajedi@helmholtz-berlin.de, maxim.krivenkov@helmholtz-berlin.de, dmitry.marchenko@helmholtz-berlin.de, jaime.sanchez-barriga@helmholtz-berlin.de, a.chandran@fz-juelich.de, andrei.varykhalov@helmholtz-berlin.de, emile.rienks@helmholtz-berlin.de, i.aguilera@fz-juelich.de, s.bluegel@fz-juelich.de, rader@helmholtz-berlin.de

DOI10.24435/materialscloud:93-j5 [version v1]

Publication date: Apr 11, 2022

How to cite this record

Maryam Sajedi, Maxim Krivenkov, Dmitry Marchenko, Jaime Sánchez-Barriga, Anoop K. Chandran, Andrei Varykhalov, Emile D. L. Rienks, Irene Aguilera, Stefan Blügel, Oliver Rader, Is there a polaron signature in angle-resolved photoemission of CsPbBr₃?, Materials Cloud Archive 2022.51 (2022), https://doi.org/10.24435/materialscloud:93-j5

Description

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.

Materials Cloud sections using this data

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File name	Size	Description
CsPbBr3.tar.gz MD5md5:9a099cc340a2a91f810e4aff592dca3f	565.2 MiB	Calculation data, inputs and outputs
README.txt MD5md5:96e7b388d4f6fd2a2c913cc607bfb036	4.6 KiB	Description of the versions of codes used for calculation and details about input and output files

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Keywords

large-polaron angle-resolved photoemission of CsPbBr3 GW calculations of CsPbBr3