| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AlC2 |
| JIANG Jiu-Xing1,2**, JIN Shan1, WANG Zhen-Hua1, TAN Chang-Long1
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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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| Cite this article: |
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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.
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| Keywords:
71.15.Mb
81.40.Tv
71.20.-b
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Received: 30 July 2010
Published: 28 February 2011
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| PACS: |
71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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81.40.Tv
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(Optical and dielectric properties related to treatment conditions)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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