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dc.contributor.authorFrohna, Kyle
dc.contributor.authorDeshpande, Tejas
dc.contributor.authorHarter, John
dc.contributor.authorPeng, Wei
dc.contributor.authorBarker, Bradford A.
dc.contributor.authorNeaton, Jeffrey B.
dc.contributor.authorLouie, Steven G.
dc.contributor.authorBakr, Osman
dc.contributor.authorHsieh, David
dc.contributor.authorBernardi, Marco
dc.date.accessioned2018-05-17T06:24:05Z
dc.date.available2018-05-17T06:24:05Z
dc.date.issued2018-05-08
dc.identifier.citationFrohna K, Deshpande T, Harter J, Peng W, Barker BA, et al. (2018) Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals. Nature Communications 9. Available: http://dx.doi.org/10.1038/s41467-018-04212-w.
dc.identifier.issn2041-1723
dc.identifier.pmid29739939
dc.identifier.doi10.1038/s41467-018-04212-w
dc.identifier.urihttp://hdl.handle.net/10754/627901
dc.description.abstractMethylammonium lead iodide perovskite (MAPbI3) exhibits long charge carrier lifetimes that are linked to its high efficiency in solar cells. Yet, the mechanisms governing these unusual carrier dynamics are not completely understood. A leading hypothesis-disproved in this work-is that a large, static bulk Rashba effect slows down carrier recombination. Here, using second harmonic generation rotational anisotropy measurements on MAPbI3 crystals, we demonstrate that the bulk structure of tetragonal MAPbI3 is centrosymmetric with I4/mcm space group. Our calculations show that a significant Rashba splitting in the bandstructure requires a non-centrosymmetric lead iodide framework, and that incorrect structural relaxations are responsible for the previously predicted large Rashba effect. The small Rashba splitting allows us to compute effective masses in excellent agreement with experiment. Our findings rule out the presence of a large static Rashba effect in bulk MAPbI3, and our measurements find no evidence of dynamic Rashba effects.
dc.description.sponsorshipM.B. acknowledges partial support from start-up funds and from the Space Solar Program Initiative at the California Institute of Technology. K.F. thanks the California Institute of Technology for support through the SURF fellowship program, and Peter Foley and Linn Leppert for fruitful discussions. SHG-RA measurements were supported by the U. S. Department of Energy under grant DE-SC0010533. D.H. also acknowledges funding for instrumentation from the Institute for Quantum Information and Matter, an NSF Physics Frontiers Center (PHY-1125565) with support of the Gordon and Betty Moore Foundation through grant GBMF1250. O.M.B and W.P. acknowledge the support of KAUST. J.B.N. and S.G.L. were supported by the U.S. Department of Energy, Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231, through the Theory FWP (KC2301) at Lawrence Berkeley National Laboratory (LBNL). This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02- 05CH11231.
dc.publisherSpringer Nature
dc.relation.urlhttps://www.nature.com/articles/s41467-018-04212-w
dc.rightsThe final publication is available at Springer via http://dx.doi.org/10.1038/s41467-018-04212-w
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleInversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals
dc.typeArticle
dc.contributor.departmentFunctional Nanomaterials Lab (FuNL)
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalNature Communications
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionSchool of Physics, Trinity CollegeDublin, Dublin 2, Ireland. 3Department of Physics, California Institute of Technology, Pasadena, CA 91125, USA.
dc.contributor.institutionDepartment of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA.
dc.contributor.institutionDepartment of Physics, University of California, Berkeley, CA 94720-7300, USA.
dc.contributor.institutionMaterials Science Division, Lawrence Berkeley National Laboratory,Berkeley, CA 94720, USA.
dc.contributor.institutionMolecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
kaust.personPeng, Wei
kaust.personBakr, Osman M.
refterms.dateFOA2018-06-14T03:31:09Z
dc.date.published-online2018-05-08
dc.date.published-print2018-12


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The final publication is available at Springer via http://dx.doi.org/10.1038/s41467-018-04212-w
Except where otherwise noted, this item's license is described as The final publication is available at Springer via http://dx.doi.org/10.1038/s41467-018-04212-w