1. Probing temperature-induced ordering in supersaturated Ti-1 (-) xAlxN coatings by electronic structure
- Author
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David Horwat, Joakim Andersson, Jose L. Endrino, Cecilia Århammar, Jan-Erik Rubensson, Muhammad Ramzan, Andreas Blomqvist, Rajeev Ahuja, Sandvik Coromant R&D, Department of Physics and Materials Science, Condensed Matter Theory Group, Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Department of Public Health and Clinical Medicine, Umeå University, Centre for Quantum Technologies [Singapore] (CQT), National University of Singapore (NUS), Department of Physics and Astronomy [Uppsala], Uppsala University, iDepartment of Materials and Engineering, Applied Materials Physics, Royal Institute of Technology, and Royal Institute of Technology [Stockholm] (KTH )
- Subjects
X-ray absorption spectroscopy ,Supersaturation ,Materials science ,Spinodal decomposition ,chemistry.chemical_element ,02 engineering and technology ,Surfaces and Interfaces ,General Chemistry ,Electronic structure ,Nitride ,Edge (geometry) ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Surfaces, Coatings and Films ,Crystallography ,Chemical engineering ,chemistry ,Aluminium ,0103 physical sciences ,Materials Chemistry ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,010306 general physics ,0210 nano-technology ,Titanium - Abstract
International audience; 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.
- Published
- 2014
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