First-Principles Study of Optical Properties of Single-Wall Silicon Nanotubes

Xiao Jing Kou; Chun Bo Zhu; Jia Cai Fu

doi:10.4028/www.scientific.net/AMR.105-106.234

Paper Titles

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High Temperature Properties of Ti₃SiC₂-SiC Composites
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Interfacial Microstructure and Strength of Vacuum Brazed Joints of Ternary Ceramics Ti₃SiC₂
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A New Technique for Testing Abrasion Resistance of Refractories at Elevated Temperatures
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First-Principles Study of Optical Properties of Single-Wall Silicon Nanotubes
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Microwave Dielectric Properties of Ca_1-x(Li_1/2Sm_1/2)_xTiO₃ Ceramics
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Sol-Gel Synthesis and Characterization of LaAlO₃ Nanoparticles Using Gelatin as Organic Precursor
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Ferroelectric and Dielectric Properties of Vanadium-Doped Bismuth Layer Sr₂Bi₄Ti₅O₁₈ Ceramics
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Study on Ferroelectric and Dielectric Properties of Zr-Doped Sr₂Bi₄Ti₅O₁₈ Ceramics
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First-Principles Study of Optical Properties of Single-Wall Silicon Nanotubes

Abstract:

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.