{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360574095312692736.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1103/physrevb.67.155405"}},{"identifier":{"@type":"URI","@value":"http://link.aps.org/article/10.1103/PhysRevB.67.155405"}},{"identifier":{"@type":"URI","@value":"http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.67.155405/fulltext"}}],"dc:title":[{"@value":"Electronic structures of lead iodide based low-dimensional crystals"}],"description":[{"notation":[{"@value":"The electronic structures of three-dimensional and two-dimensional lead-halide-based crystals ${\\mathrm{CH}}_{3}{\\mathrm{NH}}_{3}{\\mathrm{PbI}}_{3}$ and $({\\mathrm{C}}_{4}{\\mathrm{H}}_{9}{\\mathrm{NH}}_{3}{)}_{2}{\\mathrm{PbI}}_{4}$ are investigated by photoelectron spectroscopy and band calculations using the linear combination of atomic orbitals within the density-functional theory. For both crystals, the top of the valence band is found to consist mainly of the $\\ensuremath{\\sigma}$-antibonding states of Pb $6s$ and I $5p$ orbitals, and the bottom of the conduction band to be composed primarily of the $\\ensuremath{\\sigma}$-antibonding states of Pb $6p$ and I $5s$ orbitals. Photoelectron spectra of the valence-band region indicate that the electronic structures change depending on the dimensionality of the crystals. Based on the calculation results, the differences observed in the spectra are rationalized in terms of narrowing bandwidth as the dimensionality decreases from three to two dimensions. It is shown that the bandwidth narrowing of the two-dimensional crystal is due to zero dispersion in the vertical direction and the Jahn-Teller effect in the layered structure. These effects lead to a wideband gap and high exciton stability in $({\\mathrm{C}}_{4}{\\mathrm{H}}_{9}{\\mathrm{NH}}_{3}{)}_{2}{\\mathrm{PbI}}_{4}.$"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380004055559711512","@type":"Researcher","foaf:name":[{"@value":"T. Umebayashi"}]},{"@id":"https://cir.nii.ac.jp/crid/1380574095312692608","@type":"Researcher","foaf:name":[{"@value":"K. Asai"}]},{"@id":"https://cir.nii.ac.jp/crid/1380574095312692737","@type":"Researcher","foaf:name":[{"@value":"T. Kondo"}]},{"@id":"https://cir.nii.ac.jp/crid/1380574095312692738","@type":"Researcher","foaf:name":[{"@value":"A. Nakao"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"01631829"},{"@type":"EISSN","@value":"10953795"}],"prism:publicationName":[{"@value":"Physical Review B"}],"dc:publisher":[{"@value":"American Physical Society (APS)"}],"prism:publicationDate":"2003-04-15","prism:volume":"67","prism:number":"15","prism:startingPage":"155405"},"reviewed":"false","dc:rights":["http://link.aps.org/licenses/aps-default-license"],"url":[{"@id":"http://link.aps.org/article/10.1103/PhysRevB.67.155405"},{"@id":"http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.67.155405/fulltext"}],"createdAt":"2003-04-16","modifiedAt":"2018-02-11","relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1050285299907661312","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Role of virtual band population for high harmonic generation in solids"}]},{"@id":"https://cir.nii.ac.jp/crid/1050849933446395520","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Excitonic enhancement of optical nonlinearities in perovskite CH₃NH₃PbCl₃ single crystals"},{"@value":"Excitonic enhancement of optical nonlinearities in perovskite \n<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:msub><mml:mi>CH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>NH</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>PbCl</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>\n single crystals"}]},{"@id":"https://cir.nii.ac.jp/crid/1360002216673022592","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Cation Role in Structural and Electronic Properties of 3D Organic–Inorganic Halide Perovskites: A DFT Analysis"}]},{"@id":"https://cir.nii.ac.jp/crid/1360003449888611328","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Mixed-crystal effect on the scintillation properties of organic–inorganic layered perovskite-type compounds"}]},{"@id":"https://cir.nii.ac.jp/crid/1360003449891870976","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Photophysics of metal halide perovskites: From materials to devices"}]},{"@id":"https://cir.nii.ac.jp/crid/1360013168863073024","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Photoluminescence and scintillation characteristics of (C\n                    <sub>6</sub>\n                    H\n                    <sub>5</sub>\n                    C\n                    <sub>\n                      <i>n</i>\n                    </sub>\n                    H\n                    <sub>\n                      2\n                      <i>n</i>\n                    </sub>\n                    NH\n                    <sub>3</sub>\n                    )\n                    <sub>2</sub>\n                    PbBr\n                    <sub>4</sub>\n                    (\n                    <i>n</i>\n                     = 2, 3, 4)"}]},{"@id":"https://cir.nii.ac.jp/crid/1360283692778675968","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Optical Transitions in Hybrid Perovskite Solar Cells: Ellipsometry, Density Functional Theory, and Quantum Efficiency Analyses for<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi>CH</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi>NH</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi>PbI</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708900599424","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Electronic structures and chemical states of methylammonium lead triiodide thin films and the impact of annealing and moisture exposure"}]},{"@id":"https://cir.nii.ac.jp/crid/1360290617601629696","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Effect of A-Site Cation on Photoluminescence Spectra of Single Lead Bromide Perovskite 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