Probing temperature-induced ordering in supersaturated Ti-1 (-) xAlxN coatings by electronic structure
2014 (English)In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 242, 207-213 p.Article in journal (Refereed) Published
The ordering of supersaturated cubic titanium aluminum nitride (c-Ti0.35Al0.65N) coatings is probed from room temperature up to and above the point of spinodal decomposition, using Near Edge X-ray Absorption Fine-structure (NEXAFS) and first principles calculations. The measured and calculated nitrogen (N) K spectra suggest that unoccupied N p states hybridize with Ti d states. When temperature is raised the N p-Ti d overlap decreases, whereas hybridization between N p and Al p tends to increase. The observed spectral changes with temperature together with calculations of defect heat of formation suggest a depletion of N in the surroundings of Ti in c-Ai(1) (-) xAlxN and/or in the formed c-TiN.
Place, publisher, year, edition, pages
2014. Vol. 242, 207-213 p.
Titanium aluminum nitride, X-ray absorption spectroscopy, Electronic structure, First principles calculations
IdentifiersURN: urn:nbn:se:kth:diva-145091DOI: 10.1016/j.surfcoat.2013.10.054ISI: 000333782400030ScopusID: 2-s2.0-84894636657OAI: oai:DiVA.org:kth-145091DiVA: diva2:716378
FunderSwedish Research Council
QC 201405092014-05-092014-05-082014-05-09Bibliographically approved