Defect structure and optical properties of alkaline-earth fluorides

Bitte benutzen Sie diese Kennung, um auf die Ressource zu verweisen:
https://osnadocs.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2007052824
Open Access logo originally created by the Public Library of Science (PLoS)
Langanzeige der Metadaten
DC ElementWertSprache
dc.contributor.advisorProf. Dr. Gunnar Borstel
dc.creatorShi, Hongting
dc.date.accessioned2010-01-30T14:36:25Z
dc.date.available2010-01-30T14:36:25Z
dc.date.issued2007-05-25T13:29:21Z
dc.date.submitted2007-05-25T13:29:21Z
dc.identifier.urihttps://osnadocs.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2007052824-
dc.description.abstractI present and discuss the results of calculations ofelectronic structures of perfect and defective CaF2 and BaF2 crystals. These are based on the ab initio Hartree-Fock method with electron correlation corrections and ondensity-functional theory calculations with different exchange-correlation functionals, including hybrid exchange techniques.The defective systems include F centers, M centers, O-V dipoles, Hydrogen impurities and H centers.eng
dc.language.isoeng
dc.subjectCaF2
dc.subjectBaF2
dc.subjectDFT
dc.subjectHF
dc.subjectelectronicstructure
dc.subjectband gap
dc.subjectDOS
dc.subjectF center
dc.subjectM center
dc.subjectO-V dipole
dc.subjectHydrogen impurity
dc.subjectH center
dc.subject.ddc530 - Physikger
dc.titleDefect structure and optical properties of alkaline-earth fluorideseng
dc.typeDissertation oder Habilitation [doctoralThesis]-
thesis.locationOsnabrück-
thesis.institutionUniversität-
thesis.typeDissertation [thesis.doctoral]-
thesis.date2007-04-23T12:00:00Z-
elib.elibid668-
elib.marc.edtjost-
elib.dct.accessRightsa-
elib.dct.created2007-05-10T14:21:12Z-
elib.dct.modified2007-05-25T13:29:21Z-
dc.contributor.refereeProf. Dr. Michael Reichling
dc.subject.dnb29 - Physik, Astronomieger
dc.subject.pacs71.15.Ap - Basis sets (LCAO, plane-wave, APW, etc.) and related methodologyeng
dc.subject.pacs71.15.Mb - Density functional theory, local density approximation, gradient and other correctionseng
dc.subject.pacs68.35.Bs - Structure of clean surfaces (reconstruction)eng
vCard.ORGFB4ger
Enthalten in den Sammlungen:FB06 - E-Dissertationen

Dateien zu dieser Ressource:
Datei Beschreibung GrößeFormat 
E-Diss668_thesis.pdfPräsentationsformat7,89 MBAdobe PDF
E-Diss668_thesis.pdf
Miniaturbild
Öffnen/Anzeigen


Alle Ressourcen im Repositorium osnaDocs sind urheberrechtlich geschützt, soweit nicht anderweitig angezeigt. rightsstatements.org