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Theory of the effec...
Theory of the effects of substitutions on the phase stabilities of Ti1-xAlxN
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- Hugosson, Håkan Wilhelm (author)
- KTH,Bioteknologi,Department of Materials Science and Engineering, Royal Institute of Technology,Applied Materials Physics, Department of Materials Science, Royal Institute of Technology, S-100 44 Stockholm, Sweden, Condensed Matter Theory Group, Department of Physics, Uppsala University, S-751 21 Uppsala, Sweden
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- Högberg, Hans (author)
- Linköpings universitet,Tekniska högskolan,Tunnfilmsfysik
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- Algren, M. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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- Rodmar, M. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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- Selinder, T. I. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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(creator_code:org_t)
- AIP Publishing, 2003
- 2003
- English.
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In: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 93:8, s. 4505-4511
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Abstract
Subject headings
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- We have performed ab initio studies of the effect of substitutions on the phase stabilities of Ti1-xAlxN, x=0-1. The nonmetal substitutions studied include B, C, O, and Si. Metal substitutions studied include Sc, Zr, V, Cr, and Mn. The main objective has been to suggest substitutions that increase the thermal stability of the NaCl structure of Ti1-xAlxN at high Al contents. From these extensive and consistent calculations, some possible avenues for such stabilization present themselves, among which substitution with nonmetal C and Si, and metal V, Cr, and Mn are found to be the most promising.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- electronic-structure
- molecular-dynamics
- films
- transition
- carbides
- coatings
- metals
- (ti
- TECHNOLOGY
Publication and Content Type
- ref (subject category)
- art (subject category)
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