Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AIC2

JIANG Jiu-Xing; JIN Shan; WANG Zhen-Hua; TAN Chang-Long

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Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AIC2

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The electronic structure and optical properties of the layered ternary compound Ti3AlC2 are studied by the planewave psedudopotential method within the generalized gradient approximation. The results show that Ti3AiC2is 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.

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《中国物理快报：英文版》 |2011年第3期|180-183|共4页
作者
JIANG Jiu-Xing; JIN Shan; WANG Zhen-Hua; TAN Chang-Long;
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Department of Applied Physics, Harbin University of Science and Technology Harbin,150080;

School of Materials Science and Engineering, Harbin Institute of Technology, Harbin, 150001;

Department of Applied Physics, Harbin University of Science and Technology Harbin,150080;

Department of Applied Physics, Harbin University of Science and Technology Harbin,150080;

Department of Applied Physics, Harbin University of Science and Technology Harbin,150080;

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Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AIC2

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