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Near-edge X-ray absorption spectra of carbon-nitride molecules and solids
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0002-1763-9383
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2001 (English)In: Physica scripta. T, ISSN 0281-1847, Vol. 63, no 1, 70-86 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2001. Vol. 63, no 1, 70-86 p.
Keyword [en]
static-exchange calculations, bias-enhanced nucleation, core ionization energies, ab-initio, electron-spectroscopy, fine-structure, band-structure, diamond films, thin-films, photoabsorption
Identifiers
URN: urn:nbn:se:kth:diva-20299ISI: 000166471400010OAI: oai:DiVA.org:kth-20299DiVA: diva2:338993
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Ågren, Hans

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