First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes
نویسندگان
چکیده
منابع مشابه
Optical Properties of Silicon Nanocrystals: a First Principles Study
Ab initio quasiparticle gaps, self-energy corrections, exciton Coulomb energies, and optical gaps of Si nanocrystals are calculated using the higher-order finite difference pseudopotential method. The calculations are performed in real space on hydrogen-passivated Si clusters with diameters up to 30 Å (> 1000 atoms). The size-dependent self-energy correction is enhanced substantially compared t...
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We review our recent work on the mechanics of silicon nanowires based on first-principles density functional theory (DFT) calculations. We focus especially on the size dependence of the Young’s modulus, but also comment on the size dependence of the residual stress and the equilibrium length of the hydrogen-passivated Si nanowires. We compare these results to prior results from classical molecu...
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We have developed an ab initio method to calculate optical properties of crystals, clusters, and surfaces starting from their fully relaxed atomic configurations. The approach allows dealing with systems consisting of up to several hundred atoms per unit cell. We present results for silicon clusters consisting of 20, 60, and 70 atoms. We calculate the optical dielectric response function for cl...
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Nanotubes are one of the most promising functional materials in nanotechnology. Silicon nanotubes (SiNTs) have been experimentally validated; they are unique puckered nanotubular structures unlike carbon nanotubes (CNTs). Although the electronic and optical properties of SiNTs have been previously studied, their structure-related capability for electron transport has not been investigated. Here...
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ژورنال
عنوان ژورنال: Optics Express
سال: 2007
ISSN: 1094-4087
DOI: 10.1364/oe.15.010947