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First-principles study of electron dynamics with explicit treatment of momentum dispersion on Si nanowires along different directions
摘要： In this research, ground-state electronic structure and optical properties along with photoinduced electron dynamics of Si nanowires oriented in various directions are reviewed. These nanowires are significant functional units of future nano-electronic devices. All observables are computed for a distribution of wave vectors at ambient temperature. Optical properties are computed under the approximation of momentum conservation. The total absorption is composed of partial contributions from fixed values of momentum. The on-the-fly non-adiabatic couplings obtained along the ab initio molecular dynamics nuclear trajectories are used as parameters for Redfield density matrix equation of motion. The main outcomes of this study are transition energies, light absorption spectra, electron and hole relaxation rates, and electron transport properties. The results of these calculations would contribute to the understanding of the mechanism of electron transfer process on the Si nanowires for optoelectronic applications.
关键词： nanowires,excited state dynamics,nonadiabatic,Momentum dispersion,silicon
更新于2025-09-19 17:15:36
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[IEEE 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) - Paris, France (2019.9.1-2019.9.6)] 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) - Strong Anisotropic Photo-mixing Effect of Semi-Dirac Materials in the Terahertz Regime
摘要： Semi-Dirac materials such as a TiO2/VO2 have been shown to possess a parabolic energy-momentum dispersion in the x direction and linear dispersion in the y direction. This unique energy-momentum dispersion leads to many anisotropic effects. Here, we demonstrate a strong anisotropic photo-mixing effect in such systems which can be used to control the strength of the photo-response.
关键词： semi-Dirac system,momentum dispersion,anisotropic photo-mixing effect,terahertz regime
更新于2025-09-16 10:30:52