Surface properties of titanium nitride:
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Chao Wang; Yongbing Dai; Haiyan Gao; Xiaoming Ruan; Jun Wang; Baode Sun
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Article
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2010
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Elsevier Science
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English
β 467 KB
The low-index surfaces of TiN are calculated using the first-principles method based on density functional theory. It is found that the relaxation effect is mainly localized in the outmost three layers for all surfaces, and the distance reduction of the outmost interlayer for the N-terminated (111)