Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/107191
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampAntonelli, Alexpt_BR
dc.typeArtigopt_BR
dc.titleDislocation core reconstruction in zinc-blende semiconductorspt_BR
dc.contributor.authorJusto, J. F.pt_BR
dc.contributor.authorFazzio, A.pt_BR
dc.contributor.authorAntonelli, A.pt_BR
dc.subjectDeslocamentos em cristaispt_BR
dc.subjectSilíciopt_BR
dc.subjectFalhas de empilhamentopt_BR
dc.subjectEstrutura eletrônicapt_BR
dc.subject.otherlanguageDislocations in crystalspt_BR
dc.subject.otherlanguageSiliconpt_BR
dc.subject.otherlanguageStacking faultpt_BR
dc.subject.otherlanguageElectronic structurept_BR
dc.description.abstractUsing ab initio total-energy calculations, we computed core reconstruction energies of partial dislocations in zinc-blende semiconductors. The reconstruction energy of 30° partials was found to scale almost linearly with the experimental activation energy of 60° dislocations. The electronic structure of a dislocation shows that in an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up into bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the core of β-partials, while those related to α-partials remain resonant in the valence band.en
dc.description.abstractUsing ab initio total-energy calculations, we computed core reconstruction energies of partial dislocations in zinc-blende semiconductors. The reconstruction energy of 30◦ partials was found to scale almost linearly with the experimental activation energy of 60◦ dislocations. The electronic structure of a dislocation shows that in an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up into bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the core of β-partials, while those related to α-partials remain resonant in the valence band.pt_BR
dc.relation.ispartofJournal of physics. Condensed matterpt_BR
dc.relation.ispartofabbreviationJ. phys., Condens. matterpt_BR
dc.publisher.cityBristolpt_BR
dc.publisher.countryReino Unidopt_BR
dc.publisherInstitute of Physics Publishingpt_BR
dc.date.issued2000pt_BR
dc.date.monthofcirculationDec.pt_BR
dc.identifier.citationJournal Of Physics Condensed Matter. Iop, Bristol, United Kingdom, v. 12, n. 49, p. 10039 - 10044, 2000.pt_BR
dc.language.isoengpt_BR
dc.description.volume12pt_BR
dc.description.issuenumber49pt_BR
dc.description.firstpage10039pt_BR
dc.description.lastpage10044pt_BR
dc.rightsfechadopt_BR
dc.sourceSCOPUSpt_BR
dc.identifier.issn0953-8984pt_BR
dc.identifier.eissn1361-648Xpt_BR
dc.identifier.doi10.1088/0953-8984/12/49/303pt_BR
dc.identifier.urlhttp://iopscience.iop.org/article/10.1088/0953-8984/12/49/303pt_BR
dc.description.sponsorshipFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsorshipCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsorship1FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsorship1CNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.date.available2015-06-30T19:50:14Z
dc.date.available2015-11-26T14:46:59Z-
dc.date.accessioned2015-06-30T19:50:14Z
dc.date.accessioned2015-11-26T14:46:59Z-
dc.description.provenanceMade available in DSpace on 2015-06-30T19:50:14Z (GMT). No. of bitstreams: 1 2-s2.0-0034513495.pdf: 103520 bytes, checksum: 73f72d2d09a16e945c20d941183b4168 (MD5) Previous issue date: 2000 Bitstreams deleted on 2020-07-03T19:06:09Z: 2-s2.0-0034513495.pdf,. Added 1 bitstream(s) on 2020-07-03T19:11:50Z : No. of bitstreams: 1 2-s2.0-0034513495.pdf: 171890 bytes, checksum: bebccd9e47c93451d82a5b38620b6387 (MD5)en
dc.description.provenanceMade available in DSpace on 2015-11-26T14:46:59Z (GMT). No. of bitstreams: 1 2-s2.0-0034513495.pdf: 103520 bytes, checksum: 73f72d2d09a16e945c20d941183b4168 (MD5) Previous issue date: 2000en
dc.identifier.urihttp://www.repositorio.unicamp.br/handle/REPOSIP/107191
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/107191-
dc.description.conferencenomeConference on Extended Defects in Semiconductors 2000pt_BR
dc.contributor.departmentDepartamento de Física da Matéria Condensadapt_BR
dc.contributor.unidadeInstituto de Física Gleb Wataghinpt_BR
dc.subject.keywordActivation energypt_BR
dc.subject.keywordEnergy gappt_BR
dc.subject.keywordMathematical techniquespt_BR
dc.identifier.source2-s2.0-0034513495pt_BR
dc.creator.orcidorcid.org/0000-0002-2784-812Xpt_BR
dc.type.formArtigo de eventopt_BR
dc.description.sponsorNoteThe authors acknowledge partial support from the Brazilian agencies FAPESP and CNPq. The calculations were performed at the LCCA-CCE of the Universidade de São Paulo.pt_BR
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