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Electronic properties of several two dimensional halides from ab initio calculations

Cited 22 time in webofscience Cited 18 time in scopus
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dc.contributor.authorBarhoumi, Mohamedko
dc.contributor.authorAbboud, Aliko
dc.contributor.authorDebbichi, Lamjedko
dc.contributor.authorSaid, Moncefko
dc.contributor.authorBjorkman, Torbjornko
dc.contributor.authorRocca, Darioko
dc.contributor.authorLebegue, Sobastienko
dc.date.accessioned2019-04-18T02:10:14Z-
dc.date.available2019-04-18T02:10:14Z-
dc.date.created2019-04-16-
dc.date.created2019-04-16-
dc.date.issued2019-04-
dc.identifier.citationBEILSTEIN JOURNAL OF NANOTECHNOLOGY, v.10, pp.823 - 832-
dc.identifier.issn2190-4286-
dc.identifier.urihttp://hdl.handle.net/10203/261022-
dc.description.abstractUsing density functional theory, we study the electronic properties of several halide monolayers. We show that their electronic bandgaps, as obtained with the HSE hybrid functional, range between 3.0 and 7.5 eV and that their phonon spectra are dynamically stable. Additionally, we show that under an external electric field some of these systems exhibit a semiconductor-to-metal transition.-
dc.languageEnglish-
dc.publisherBEILSTEIN-INSTITUT-
dc.titleElectronic properties of several two dimensional halides from ab initio calculations-
dc.typeArticle-
dc.identifier.wosid000463339600001-
dc.identifier.scopusid2-s2.0-85065090724-
dc.type.rimsART-
dc.citation.volume10-
dc.citation.beginningpage823-
dc.citation.endingpage832-
dc.citation.publicationnameBEILSTEIN JOURNAL OF NANOTECHNOLOGY-
dc.identifier.doi10.3762/bjnano.10.82-
dc.contributor.localauthorDebbichi, Lamjed-
dc.contributor.nonIdAuthorBarhoumi, Mohamed-
dc.contributor.nonIdAuthorAbboud, Ali-
dc.contributor.nonIdAuthorSaid, Moncef-
dc.contributor.nonIdAuthorBjorkman, Torbjorn-
dc.contributor.nonIdAuthorRocca, Dario-
dc.contributor.nonIdAuthorLebegue, Sobastien-
dc.description.isOpenAccessY-
dc.type.journalArticleArticle-
dc.subject.keywordAuthordensity functional theory-
dc.subject.keywordAuthorelectronic properties-
dc.subject.keywordAuthorhalide monolayers-
dc.subject.keywordPlusSILICON-CONTAINING COMPOUNDS-
dc.subject.keywordPlusBISMUTH OXYHALIDES-
dc.subject.keywordPlusCONFORMATIONAL STABILITY-
dc.subject.keywordPlusVIBRATIONAL ASSIGNMENT-
dc.subject.keywordPlusINFRARED-SPECTRA-
dc.subject.keywordPlus1ST-PRINCIPLES-
dc.subject.keywordPlusNANOSHEETS-
dc.subject.keywordPlusINDIUM-
dc.subject.keywordPlusRAMAN-
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