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  N–K electron energy-loss near-edge structures for TiN/VN layers: an ab initio and experimental study

Lazar, P., Redinger, J., Strobl, J., Podloucky, R., Rashkova, B., Dehm, G., et al. (2008). N–K electron energy-loss near-edge structures for TiN/VN layers: an ab initio and experimental study. Analytical and Bioanalytical Chemistry, 390(6), 1447-1453. doi:10.1007/s00216-007-1759-0.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-534E-4 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-6BE6-4
Genre: Journal Article

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 Creators:
Lazar, Petr1, Author              
Redinger, Josef1, Author              
Strobl, Johannes1, Author              
Podloucky, Raimund2, Author              
Rashkova, Boryana3, 4, Author              
Dehm, Gerhard4, 5, Author              
Kothleitner, Gerald6, Author              
Šturm, Sašo7, Author              
Kutschej, Kerstin8, Author              
Mitterer, Christian9, Author              
Scheu, Christina10, Author              
Affiliations:
1Institute of Applied Physics, Vienna University of Technology, Vienna, Austria, ou_persistent22              
2Department of Physical Chemistry, Vienna University, Vienna, Austria, ou_persistent22              
3Department Physical Metallurgy and Materials Testing, Montanuniversität Leoben, Franz-Josef-Strasse 18, 8700 Leoben, Austria, ou_persistent22              
4Erich Schmid Institute of Material Science, Austrian Academy of Sciences, Leoben, Austria, ou_persistent22              
5Department of Materials Physics, Montanuniversität Leoben, Austria, ou_persistent22              
6Institut für Elektronenmikroskopie und Nanoanalytik, Technische Universität Graz, Austria, ou_persistent22              
7Institut Jožef Stefan, Ljubljana, Slovenia, ou_persistent22              
8Department of Physical Metallurgy and Materials Testing, University of Leoben, Franz-Josef-Str. 18, A-8700 Leoben, Austria, ou_persistent22              
9Department of Physical Metallurgy and Materials Testing, Christian-Doppler Laboratory for Advanced Coatings, University of Leoben, Austria, ou_persistent22              
10Department Physical Metallurgy and Materials Testing, Montanuniversität Leoben, Franz-Josef-Str. 18, 8700 Leoben, Austria, ou_persistent22              

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 Abstract: We study N-K-edge electron energy-loss near-edge structures for well-defined TiN/VN bilayers grown on a MgO (100) substrate by both calculations and experiments. The structural relaxations and the electronic structure of TiN/VN multilayers are calculated using the Vienna Ab Initio Simulation Package computer code, which uses density functional theory to describe the electronic interaction. The effects of the core hole created in the excitation process are included in the calculations. For VN, off-stoichiometric effects due to nitrogen vacancies are modelled. The partial density of states (PDOS) for the N-K edge of atoms in the vicinity of the TiN/MgO interface revealed that two new peaks appear between 7 and 9 eV instead of a broad shoulder typical for the bulk. For the VN/TiN interface, the PDOS is modified only slightly, owing to similar bonding on both sides of the interface, and is thus very similar to the respective bulk spectra. An experimental spectrum taken at the VN/TiN interface is, however, well described by an average of the simulated spectra for VN and TiN bulk (interface). Such a finding is characteristic of an intermixed interface.

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Language(s): eng - English
 Dates: 2007-09-032007-10-232007-11-192008-01-222008
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1007/s00216-007-1759-0
 Degree: -

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Title: Analytical and Bioanalytical Chemistry
  Abbreviation : Anal. Bioanal. Chem.
Source Genre: Journal
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Publ. Info: Heidelberg : Springer-Verlag
Pages: - Volume / Issue: 390 (6) Sequence Number: - Start / End Page: 1447 - 1453 Identifier: ISSN: 1618-2642
CoNE: /journals/resource/111006469468428