1. The Optical Properties of Doped Silicon Nanotubes
- Author
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Chun Ya Luo, Zhen Xun Fu, Ming Zhe Hu, Zhi Gao Lan, and Jie Feng
- Subjects
Materials science ,Silicon ,Band gap ,business.industry ,Doping ,chemistry.chemical_element ,Nanotechnology ,General Medicine ,Dielectric ,law.invention ,Optical properties of carbon nanotubes ,Condensed Matter::Materials Science ,chemistry ,Impurity ,law ,Condensed Matter::Superconductivity ,Solar cell ,Optoelectronics ,Condensed Matter::Strongly Correlated Electrons ,Electronic band structure ,business - Abstract
We perform the first-principles calculations within the framework of density functional theory to determine the electronic structure and optical properties of P-doped and B-doped silicon nanotubes. The results indicate that the electronic structure and optical properties of P-doped and B-doped silicon nanotubes are sensitive to the impurity composition. In particular, when doped with P or B, obviously the band gap decreases and the conductivity enhanced, the P-doped and B-doped silicon nanotubes displays a closer band structure and the unit cell volume of doped silicon nanotubes increased than before doping, the change depends on the doping charge and Si-Si bond length dSi-Si. Moreover, the dielectric constant decreases and increased when doped P and B, the optical absorption peak obviously has a blue shift and red shift respectively. The calculated results provide important theoretical guidance for the applications of Uv detector and the solar cell in optical detectors.
- Published
- 2014
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