Jiang Jiuxing

Electronic Structure and Optical Properties of Layered Ternary Carbide Ti3AlC2

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.