An Atomistic Insight on Hot Carrier’s Nonlinear Dynamics

Autor: Praveen Saxena, Fanish Gupta, Anshika Srivast, Pankaj Srivast, Anshu Saxena
Rok vydání: 2022
DOI: 10.21203/rs.3.rs-1280210/v2
Popis: An innovative atomistic approach for deeper understanding of the ultrafast THz spectroscopy experiments is reported. The coupled Boltzmann transport equation (BTE) with the various nonlinear scattering mechanisms is solved through the Monte Carlo (MC) technique under the influence of the single-cycle THz pulses to observe the ultrafast carrier nonlinear dynamics. The proposed technique is capable to explain the various effects based on the rigorous physics at the atomistic scale. It has the capabilities to overcome the limitations and challenges pose by various density functional theories (DFT) e.g., RT-TDDFT and molecular dynamics based methods used for the demonstration of the hot carrier dynamics. A clear advantage of the proposed real-time approach is shown by no use of any priori assumptions regarding specific nonlinear scatterings which are chosen as the fitting parameters in the relaxation time approximation (RTA) methods. The method has capabilities to capture the full real-time ultrafast carrier dynamics with the inclusion of the superposition of the electron–electron, electron-lattice and electron–phonon scatterings etc. No such method with advances in the theoretical treatments to explain the ultrafast carrier dynamics is reported previously as per the author’s knowledge. The output results of the proposed technique are compared against the experimental findings. The theoretical free carrier absorption spectra are found to be in good agreement with the experimental ones at room temperature.
Databáze: OpenAIRE