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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.
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Journal of Functional Materials
ISSN: 1001-9731
CN: 50-1099/TH
Year: 2013
Issue: 10
Volume: 44
Page: 1515-1519
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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