Theoretical spectral function of CH3NH3PbI3 hybrid perovskite around the Fermi level

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dc.contributor.authorLee, Min-I
dc.contributor.authorKhan, Saleem Ayaz
dc.contributor.authorMinár, Jan
dc.contributor.authorTejeda, A.
dc.date.accessioned2025-06-27T10:07:12Z
dc.date.available2025-06-27T10:07:12Z
dc.date.issued2023
dc.date.updated2025-06-27T10:07:12Z
dc.description.abstractMethylammonium lead iodide CH3NH3PbI3 (MAPI) is one of the hybrid organic-inorganic perovskites (HOIPs) widely considered for photovoltaic devices. Since photoemission is possibly the best technique for the experimental determination of the bands, we have calculated photoemission spectra at the main photon energies available at conventional laboratories (He I -21.2 eV, He II -40.8 eV) by performing fully relativistic Spin-Polarized Relativistic Korringa-Kohn-Rostoker (SPRKKR) calculations. Similarly, we have studied how sand p-polarization affect to the calculated spectra. These studies could help to reach a better understanding of photoemission measurements on MAPI.en
dc.format5
dc.identifier.document-number001034851100001
dc.identifier.doi10.1016/j.elspec.2023.147345
dc.identifier.issn0368-2048
dc.identifier.obd43941820
dc.identifier.orcidKhan, Saleem Ayaz 0000-0002-7379-0950
dc.identifier.orcidMinár, Jan 0000-0001-9735-8479
dc.identifier.urihttp://hdl.handle.net/11025/61790
dc.language.isoen
dc.project.IDEF15_003/0000358
dc.relation.ispartofseriesJOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
dc.rights.accessC
dc.subjectmethylammonium lead iodideen
dc.subjectphotoemissionen
dc.subjectmatrix elementsen
dc.subjectone-step modelen
dc.subjectSPRKKRen
dc.titleTheoretical spectral function of CH3NH3PbI3 hybrid perovskite around the Fermi levelen
dc.typeČlánek v databázi WoS (Jimp)
dc.typeČLÁNEK
dc.type.statusPublished Version
local.files.count1*
local.files.size2170358*
local.has.filesyes*
local.identifier.eid2-s2.0-85162006716

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