Title Probing temperature-induced ordering in supersaturated Ti-1 (-) xAlxN coatings by electronic structure
Authors Arhammar, C. , ENDRINO ARMENTEROS, JOSÉ LUIS, Ramzan, M. , Horwat, D. , Blomqvist, Andreas , Rubensson, J. -E. , Andersson, J. , Ahuja, R.
External publication Si
Means Surf. Coat. Technol.
Scope Article
Nature Científica
JCR Quartile 2
SJR Quartile 1
JCR Impact 1.99800
SJR Impact 0.98300
Web https://www.scopus.com/inward/record.uri?eid=2-s2.0-84894636657&doi=10.1016%2fj.surfcoat.2013.10.054&partnerID=40&md5=9a295ebd964294ca28aebd446d47e1a3
Publication date 15/03/2014
ISI 000333782400030
Scopus Id 2-s2.0-84894636657
DOI 10.1016/j.surfcoat.2013.10.054
Abstract 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. (C) 2013 Elsevier B.V. All rights reserved.
Keywords Titanium aluminum nitride; X-ray absorption spectroscopy; Electronic structure; First principles calculations
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