新型二维碳材料net-Y光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理研究方法，对新型二维碳材料(单层net-Y)的光学性质进行了研究.基于反射、吸收、折射和介电函数等数据分析了单层net-Y的光学性质.计算结果表明:在E_x、E_y和E_z这3个方向极化下，单层net-Y的复介电函数、复折射函数、吸收系数等光学性质表现出显著的各向异性.光学性质研究表明:该材料在整体光区具有极不敏感的光反射性质，且在紫外光区具有高吸光系数以及在能量频率为10.0 eV处具有极低的消光系数.此外, 与其他波段的光相比，在E_y极化下单层net-Y对黄光有更强的光折射响应.

A First-Principles Study on the Optical Properties of a Novel Two-Dimensional Carbon Material Net-Y

Optical properties in a novel two-dimensional carbon material (single layer net-Y) are investigated by using first-principles calculations based on density functional theory. A detailed analysis of the behavior of optical properties is given based on the reflection, absorption, refractive, dielectric functions, and so on. The results reveal that the complex dielectric function, the complex refractive function, the absorption coefficient et al. of the single layer net-Y exhibit significant anisotropy under E_x, E_y and E_z polarizations. The optical properties show that the material has very insensitive light reflection properties in the whole light region, and it has a high absorption coefficient and a very low extinction coefficient at about 10.0 eV in the ultraviolet region. In addition, compared to the light with other wavelengths, single layer net-Y presents a stronger optical refraction response to yellow light under the E_y polarization.