First-Principles Study of Optical Properties of Single-Wall Silicon Nanotubes
The optical properties of two kinds of single-wall silicon nanotubes (sw-SiNTs) [(n, 0) and (n, n)] with small diameters are investigated by using the first-principles method. For these two kinds of nanotubes, the absorptive part of dielectric functions exhibits a broad band from 4 to 8eV in the region of 4-11eV, which is attributed to the transition of the band to the * and bands. Particularly, another small peak (inter- band transition) at 1.2-2.3 eV in the low-energy region is also identified. In addition, the loss function of these nanotubes are calculated and discussed.
Wei Pan and Jianghong Gong
X. J. Kou et al., "First-Principles Study of Optical Properties of Single-Wall Silicon Nanotubes", Advanced Materials Research, Vols. 105-106, pp. 234-237, 2010