STUDY ON THE RELATIONSHIP BETWEEN VALENCE ELECTRON STRUCTURE AND COATING ORIENTED GROWTH

Shuyong Tan (), Xuhai Zhang, Rui Zhen, Lei Zhang, Zeng Tian, Zhixin Ba and Zhangzhong Wang
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Shuyong Tan: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China;
Xuhai Zhang: School of Material Science and Engineering, Southeast University, Nanjing 211189, P. R. China
Rui Zhen: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China;
Lei Zhang: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China
Zeng Tian: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China
Zhixin Ba: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China;
Zhangzhong Wang: School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, P. R. China;

Surface Review and Letters (SRL), 2015, vol. 22, issue 03, 1-6

Abstract: The coating oriented growth has attracted great attention because of its effect on coating properties. In this paper, the valence electron structures ofTiNandNiwere calculated with the empirical electron theory (EET) in solid and molecules for investigating preferred orientation of nitride coatings containingNi. The calculation results show thatNi(111),CrN(100)andTiN(100)are the maximum crystal-face electron density, respectively. InCrN(orTiN) coatings, ifNidoes not form a single nickel phase,CrN(100)(orTiN(100)) preferred orientation appears easily due to its high crystal-face electron density. WhenNiexists as a single phase,CrN(100)/Ni(111)(orTiN(100)/Ni(111)) with the minimum crystal-face electron density difference is the most likely to appear in the coatings. Furthermore, high crystal-face electron density difference usually implies fine grain microstructure. The calculation results are consistent with the experimental results.

Keywords: EET; crystal-face electron density; crystal-face electron density difference; preferred orientation (search for similar items in EconPapers)
Date: 2015
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DOI: 10.1142/S0218625X15500390

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