Near-Edge X-ray Absorption Spectra of Carbon-Nitride Molecules and Solids
hal.structure.identifier | Department of Theoretical Chemistry | |
dc.contributor.author | PLASHKEVYCH, Olexandre | |
hal.structure.identifier | Molecular Physics, Department of Experimental Physics | |
dc.contributor.author | SNIS, A. | |
hal.structure.identifier | Department of Theoretical Chemistry | |
dc.contributor.author | YANG, Li | |
hal.structure.identifier | Department of Theoretical Chemistry | |
dc.contributor.author | ÅGREN, Hans | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | MATAR, Samir | |
dc.date.issued | 2001-01-01 | |
dc.identifier.issn | 0031-8949 | |
dc.description.abstractEn | Near-edge x-ray absorption fine structure spectra have been calculated for different carbon-nitrogen molecules, clusters and solids. The compounds investigated are used to model the chemical bonding in carbon nitride thin films. The molecular and cluster spectra are calculated employing the static exchange ab initio technique, while the solid state calculations are performed with the density functional full potential augmented plane wave method. | |
dc.language.iso | en | |
dc.publisher | IOP Publishing | |
dc.title.en | Near-Edge X-ray Absorption Spectra of Carbon-Nitride Molecules and Solids | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1088/0031-8949/63/1/010 | |
dc.subject.hal | Chimie/Matériaux | |
bordeaux.journal | Physica Scripta | |
bordeaux.page | 70-86 | |
bordeaux.volume | 63 | |
bordeaux.issue | 1 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-03669692 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-03669692v1 | |
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