Materials for applications in solar cells require a combination of features including an appropriate band gap and long relaxation times for photoexcited hot carriers. On the basis of ab initio many-body perturbation theory, including the spin–orbit interaction, we investigate the photocarrier generation and dynamics in α-tellurene. We show that photoexcited electrons are mainly generated in the near-infrared range, starting at 0.89 eV and forming excitons that are strongly bound, compared to its bulk counterpart, with a binding energy of 0.31 eV. We also explore the role of the electron–phonon interaction, finding that the electronic states in the first conduction band minimum couples weakly with phonons, yielding longer hot electron lifetimes (up to 70 fs) and mean free paths up to 37 nm. We also show that the extraction of hot holes may result in a challenging task as these carrie...

ABSTRACT Black Phosphorus (BP), a layered semiconductor, has atracted enormous attention due to its singular anisotropic electronic, optical and thickness-dependent direct bandgap properties. As a consequence, BP has been envisioned as a promising material for several technological applications including photonics electronics and optolectronics. Nonetheless, most of the materials that integrate these devices undergo scattering and decay processes that are governed by quantum mechanical effects. From this point of view, the correct understanding and prediction of hot carriers dynamics in prospective materials as BP is crucial for its succesfull integration in future technology. In this work, based on ab initio calculations, we study the carrier relaxation rates in BP. Thus, the electron-electron and electron-phonon scattering contributions are investigated. Our results suggest that for t...

El texto completo de este trabajo no está disponible en el Repositorio Académico UPN por restricciones de la casa editorial donde ha sido publicado.

El texto completo de este trabajo no está disponible en el Repositorio Académico UPN por restricciones de la casa editorial donde ha sido publicado.