Mostrar el registro sencillo del ítem

dc.contributor.author
Lawler, H. M.  
dc.contributor.author
Rehr, J. J.  
dc.contributor.author
Vila, F.  
dc.contributor.author
Dalosto, Sergio Daniel  
dc.contributor.author
Shirley, E. L.  
dc.contributor.author
Levine, Z. H.  
dc.date.available
2017-07-06T19:11:02Z  
dc.date.issued
2008-11  
dc.identifier.citation
Lawler, 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.identifier.issn
1098-0121  
dc.identifier.uri
http://hdl.handle.net/11336/19784  
dc.description.abstract
A 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.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Physical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Excited States  
dc.subject.classification
Otras Ciencias Físicas  
dc.subject.classification
Ciencias Físicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Optical to UV spectra and birefringence of SiO2 and TiO 2: First-principles calculations with excitonic effects  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2017-06-29T13:36:22Z  
dc.journal.volume
78  
dc.journal.number
20  
dc.journal.pagination
205108-205116  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Lawler, H. M.. University of Washington; Estados Unidos  
dc.description.fil
Fil: Rehr, J. J.. University of Washington; Estados Unidos  
dc.description.fil
Fil: Vila, F.. University of Washington; Estados Unidos  
dc.description.fil
Fil: 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.description.fil
Fil: Shirley, E. L.. National Institute of Standards and Technology; Estados Unidos  
dc.description.fil
Fil: Levine, Z. H.. National Institute of Standards and Technology; Estados Unidos  
dc.journal.title
Physical Review B: Condensed Matter and Materials Physics  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.78.205108  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.78.205108  

Archivos asociados
Thumbnail
 
Tamaño: 224.2Kb
Formato: PDF
.