Arhammar, C. , ENDRINO ARMENTEROS, JOSÉ LUIS, Ramzan, M. , Horwat, D. , Blomqvist, Andreas , Rubensson, J. -E. , Andersson, J. , Ahuja, R.
Si
Surf. Coat. Technol.
Article
Científica
1.998
0.983
15/03/2014
000333782400030
2-s2.0-84894636657
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.
Titanium aluminum nitride; X-ray absorption spectroscopy; Electronic structure; First principles calculations