Chin. Phys. Lett.  2011, Vol. 28 Issue (3): 037101    DOI: 10.1088/0256-307X/28/3/037101
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AlC2
JIANG Jiu-Xing1,2**, JIN Shan1, WANG Zhen-Hua1, TAN Chang-Long1
1Department of Applied Physics, Harbin University of Science and Technology, Harbin 150080
2School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001
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JIANG Jiu-Xing, JIN Shan, WANG Zhen-Hua et al  2011 Chin. Phys. Lett. 28 037101
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Abstract The electronic structure and optical properties of the layered ternary compound Ti3AlC2 are studied by the plane-wave psedudopotential method within the generalized gradient approximation. The results show that Ti3AlC2 is an electronic conductor. The total density of states at the Fermi level mainly originates from Ti d states. Moreover, it is found that the reflectivity is nonselective in the visible region. In particular, the reflectivity is high in the ultraviolet region, indicating that Ti3AlC2 can be a promising candidate for use as an anti-ultraviolet ray coating material. Furthermore, the mechanism of the optical properties is investigated on the basis of the electronic structure.
Keywords: 71.15.Mb      81.40.Tv      71.20.-b     
Received: 30 July 2010      Published: 28 February 2011
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  81.40.Tv (Optical and dielectric properties related to treatment conditions)  
  71.20.-b (Electron density of states and band structure of crystalline solids)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/28/3/037101       OR      https://cpl.iphy.ac.cn/Y2011/V28/I3/037101
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JIANG Jiu-Xing
JIN Shan
WANG Zhen-Hua
TAN Chang-Long
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