Chin. Phys. Lett.  1997, Vol. 14 Issue (7): 542-545    DOI:
Original Articles |
Electronic Structure of Equilibrium-State TiNx Films
ZHANG Zhi-peng;SHEN Yao-wen;XU Wei;HUANG Mei-chun
Department of Physics, Xiamen University, Xiamen 361005
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ZHANG Zhi-peng, SHEN Yao-wen, XU Wei et al  1997 Chin. Phys. Lett. 14 542-545
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Abstract By using LMTO-ASA method and supercell approach, the self-consistent band structures for α-Ti, ε-Ti2N, and δ-TiN have been calculated. Moreover, α-Ti, ε-Ti2N, and δ-TiN were taken as three samples corresponding to TiNx films for x = 0, 0.5, 1.0. Then, according to the phase diagram of Ti-N and statistical supercell method, we have, for the first time to our knowledge, calculated the electronic structures of equilibrium-state TiNx films for all compositions of x < 1.0.
Keywords: 71.25.Pi      71.20.-b     
Published: 01 July 1997
PACS:  71.25.Pi  
  71.20.-b (Electron density of states and band structure of crystalline solids)  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1997/V14/I7/0542
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ZHANG Zhi-peng
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XU Wei
HUANG Mei-chun
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