Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy

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dc.contributor.authorIbaceta-Jaña, Josefa
dc.contributor.authorMuydinov, Ruslan
dc.contributor.authorRosado, Pamela
dc.contributor.authorMirhosseini, Hossein
dc.contributor.authorChugh, Manjusha
dc.contributor.authorNazarenko, Olga
dc.contributor.authorDirin, Dmitry N.
dc.contributor.authorHeinrich, Dirk
dc.contributor.authorWagner, Markus R.
dc.contributor.authorKühne, Thomas D.
dc.contributor.authorSzyszka, Bernd
dc.contributor.authorKovalenko, Maksym V.
dc.contributor.authorHoffmann, Axel
dc.date.accessioned2020-04-22T13:35:01Z
dc.date.available2020-04-22T13:35:01Z
dc.date.issued2020-02-26
dc.description.abstractLead halide perovskite semiconductors providing record efficiencies of solar cells have usually mixed compositions doped in A- and X-sites to enhance the phase stability. The cubic form of formamidinium (FA) lead iodide reveals excellent opto-electronic properties but transforms at room temperature (RT) into a hexagonal structure which does not effectively absorb visible light. This metastable form and the mechanism of its stabilization by Cs+ and Br− incorporation are poorly characterized and insufficiently understood. We report here the vibrational properties of cubic FAPbI3 investigated by DFT calculations on phonon frequencies and intensities, and micro-Raman spectroscopy. The effects of Cs+ and Br− partial substitution are discussed. We support our results with the study of FAPbBr3 which expands the identification of vibrational modes to the previously unpublished low frequency region (<500 cm−1). Our results show that the incorporation of Cs+ and Br− leads to the coupling of the displacement of the A-site components and weakens the bonds between FA+ and the PbX6 octahedra. We suggest that the enhancement of α-FAPbI3 stability can be a product of the release of tensile stresses in the Pb–X bond, which is reflected in a red-shift of the low frequency region of the Raman spectrum (<200 cm−1).en
dc.description.sponsorshipTU Berlin, Open-Access-Mittel - 2020en
dc.description.sponsorshipDFG, 43659573, SFB 787: Halbleiter - Nanophotonik: Materialien, Modelle, Bauelementeen
dc.description.sponsorshipBMWi, 0324095H, Verbundvorhaben: speedCIGS - Rechnerunterstützte Optimierung des CIGS-Depositionsprozesses in der industriellen Umsetzung; Teilvorhaben: Transparent leitende Schichten und Perowskit Absorber Schichten für Tandem Konzepte mit CIGS Absorberen
dc.identifier.eissn1463-9084
dc.identifier.issn1463-9076
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/10995
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-9887
dc.language.isoenen
dc.rights.urihttps://creativecommons.org/licenses/by-nc/3.0/en
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherlow frequency regionen
dc.subject.otherRaman spectroscopyen
dc.subject.othervibrational modesen
dc.titleVibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopyen
dc.typeArticleen
dc.type.versionpublishedVersionen
dcterms.bibliographicCitation.doi10.1039/C9CP06568Gen
dcterms.bibliographicCitation.journaltitlePhysical Chemistry Chemical Physicsen
dcterms.bibliographicCitation.originalpublishernameRSC Publishingen
dcterms.bibliographicCitation.originalpublisherplaceLondonen
dcterms.bibliographicCitation.pageend5614en
dcterms.bibliographicCitation.pagestart5604en
dcterms.bibliographicCitation.volume22en
tub.accessrights.dnbfreeen
tub.affiliationFak. 4 Elektrotechnik und Informatik::Inst. Hochfrequenz- und Halbleiter-Systemtechnologien::FG Technologie für Dünnschicht-Bauelementede
tub.affiliation.facultyFak. 4 Elektrotechnik und Informatikde
tub.affiliation.groupFG Technologie für Dünnschicht-Bauelementede
tub.affiliation.instituteInst. Hochfrequenz- und Halbleiter-Systemtechnologiende
tub.publisher.universityorinstitutionTechnische Universität Berlinen

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