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author:

Huang, Tao (Huang, Tao.) [1] | Zhou, Bai-Yang (Zhou, Bai-Yang.) [2] (Scholars:周白杨) | Zhang, Wei (Zhang, Wei.) [3] | Wu, Bo (Wu, Bo.) [4] (Scholars:吴波)

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Abstract:

The electronic structure and optical properties of TiNx system in different N content (x=0, 0.5, 0.6 and 1) corresponding to the TiNx super cell structure were calculated by the first principle method. The calculation results showed that: TiNx were typically metal properties, but this properties of TiNx were weakened according to the increase of the content of N. The dielectric function and reflectivity function of TiNx (x=0, 0.5, 0.6 and 1) crystal were accurately calculated. The calculation results coincided with the existing theory well, which offered theoretical data for TiNx materials in molecular atomic scale design and application in further.

Keyword:

Calculations Electronic structure Optical properties Titanium nitride

Community:

  • [ 1 ] [Huang, Tao]College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 2 ] [Zhou, Bai-Yang]College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 3 ] [Zhang, Wei]College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 4 ] [Wu, Bo]College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China

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Source :

Journal of Functional Materials

ISSN: 1001-9731

CN: 50-1099/TH

Year: 2013

Issue: 10

Volume: 44

Page: 1515-1519

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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