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dc.creatorLawler, H. M.-
dc.creatorRehr, J. J.-
dc.creatorVila, F.-
dc.creatorDalosto, Sergio Daniel-
dc.creatorShirley, E. L.-
dc.creatorLevine, Z. H.-
dc.date2017-07-06T19:11:02Z-
dc.date2017-07-06T19:11:02Z-
dc.date2008-11-
dc.date2017-06-29T13:36:22Z-
dc.date.accessioned2019-04-29T15:50:17Z-
dc.date.available2019-04-29T15:50:17Z-
dc.date.issued2008-11-
dc.identifierLawler, H. M.; Rehr, J. J.; Vila, F.; Dalosto, Sergio Daniel; Shirley, E. L.; et al.; Optical to UV spectra and birefringence of SiO2 and TiO 2: First-principles calculations with excitonic effects; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 78; 20; 11-2008; 205108-205116-
dc.identifier1098-0121-
dc.identifierhttp://hdl.handle.net/11336/19784-
dc.identifierCONICET Digital-
dc.identifierCONICET-
dc.identifier.urihttp://rodna.bn.gov.ar:8080/jspui/handle/bnmm/303355-
dc.descriptionA first-principles approach is presented for calculations of optical, ultraviolet spectra including excitonic effects. The approach is based on Bethe-Salpeter equation calculations using the NBSE code combined with ground-state density-functional theory calculations from the electronic structure code ABINIT. Test calculations for bulk Si are presented, and the approach is illustrated with calculations of the optical spectra and birefringence of alpha-phase SiO2 and the rutile and anatase phases of TiO2. An interpretation of the strong birefringence in TiO2 is presented.-
dc.descriptionFil: Lawler, H. M.. University of Washington; Estados Unidos-
dc.descriptionFil: Rehr, J. J.. University of Washington; Estados Unidos-
dc.descriptionFil: Vila, F.. University of Washington; Estados Unidos-
dc.descriptionFil: Dalosto, Sergio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina-
dc.descriptionFil: Shirley, E. L.. National Institute of Standards and Technology; Estados Unidos-
dc.descriptionFil: Levine, Z. H.. National Institute of Standards and Technology; Estados Unidos-
dc.formatapplication/pdf-
dc.formatapplication/pdf-
dc.languageeng-
dc.publisherAmerican Physical Society-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.78.205108-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.78.205108-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/-
dc.sourcereponame:CONICET Digital (CONICET)-
dc.sourceinstname:Consejo Nacional de Investigaciones Científicas y Técnicas-
dc.sourceinstacron:CONICET-
dc.subjectexcited states-
dc.subjectOtras Ciencias Físicas-
dc.subjectCiencias Físicas-
dc.subjectCIENCIAS NATURALES Y EXACTAS-
dc.titleOptical to UV spectra and birefringence of SiO2 and TiO 2: First-principles calculations with excitonic effects-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.typeinfo:ar-repo/semantics/articulo-
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