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
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
关键词 ：
71.25.Pi ,
71.20.-b
Abstract ： By using LMTO-ASA method and supercell approach, the self-consistent band structures for α-Ti, ε-Ti2 N, and δ-TiN have been calculated. Moreover, α-Ti, ε-Ti2 N, 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.
Key words ：
71.25.Pi
71.20.-b
出版日期: 1997-07-01
:
71.25.Pi
71.20.-b
(Electron density of states and band structure of crystalline solids)
引用本文:
ZHANG Zhi-peng;SHEN Yao-wen;XU Wei;HUANG Mei-chun. Electronic Structure of Equilibrium-State TiNx Films[J]. 中国物理快报, 1997, 14(7): 542-545.
x Films. Chin. Phys. Lett., 1997, 14(7): 542-545.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y1997/V14/I7/542
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