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
https://osnadocs.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2007052824
Langanzeige der Metadaten
DC Element | Wert | Sprache |
---|---|---|
dc.contributor.advisor | Prof. Dr. Gunnar Borstel | |
dc.creator | Shi, Hongting | |
dc.date.accessioned | 2010-01-30T14:36:25Z | |
dc.date.available | 2010-01-30T14:36:25Z | |
dc.date.issued | 2007-05-25T13:29:21Z | |
dc.date.submitted | 2007-05-25T13:29:21Z | |
dc.identifier.uri | https://osnadocs.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2007052824 | - |
dc.description.abstract | I 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.iso | eng | |
dc.subject | CaF2 | |
dc.subject | BaF2 | |
dc.subject | DFT | |
dc.subject | HF | |
dc.subject | electronicstructure | |
dc.subject | band gap | |
dc.subject | DOS | |
dc.subject | F center | |
dc.subject | M center | |
dc.subject | O-V dipole | |
dc.subject | Hydrogen impurity | |
dc.subject | H center | |
dc.subject.ddc | 530 - Physik | ger |
dc.title | Defect structure and optical properties of alkaline-earth fluorides | eng |
dc.type | Dissertation oder Habilitation [doctoralThesis] | - |
thesis.location | Osnabrück | - |
thesis.institution | Universität | - |
thesis.type | Dissertation [thesis.doctoral] | - |
thesis.date | 2007-04-23T12:00:00Z | - |
elib.elibid | 668 | - |
elib.marc.edt | jost | - |
elib.dct.accessRights | a | - |
elib.dct.created | 2007-05-10T14:21:12Z | - |
elib.dct.modified | 2007-05-25T13:29:21Z | - |
dc.contributor.referee | Prof. Dr. Michael Reichling | |
dc.subject.dnb | 29 - Physik, Astronomie | ger |
dc.subject.pacs | 71.15.Ap - Basis sets (LCAO, plane-wave, APW, etc.) and related methodology | eng |
dc.subject.pacs | 71.15.Mb - Density functional theory, local density approximation, gradient and other corrections | eng |
dc.subject.pacs | 68.35.Bs - Structure of clean surfaces (reconstruction) | eng |
vCard.ORG | FB4 | ger |
Enthalten in den Sammlungen: | FB06 - E-Dissertationen |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
---|---|---|---|---|
E-Diss668_thesis.pdf | Präsentationsformat | 7,89 MB | Adobe PDF | E-Diss668_thesis.pdf Öffnen/Anzeigen |
Alle Ressourcen im Repositorium osnaDocs sind urheberrechtlich geschützt, soweit nicht anderweitig angezeigt. rightsstatements.org