First-principles calculation of hot carriers in black phosphorus

Cesar E.P. Villegas, Alexandre R. Rocha

Research output: Contribution to journalConference articlepeer-review

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 the near-infrared and visible light spectrum [1.5 to 3.5 eV], the carriers in BP follow an ultrafast dynamics with relaxation times of the order of few to tens of femtoseconds while for the far-infrared range the relaxation times is of the order of hundreds of femtoseconds. Our reults are consistent with previous studies of pump-probe measurements on carrier dynamics.

Original languageEnglish
Article number012002
JournalJournal of Physics: Conference Series
Volume1558
Issue number1
DOIs
StatePublished - 26 Jun 2020
Event17th Meeting of Physics - Lima, Peru
Duration: 15 Aug 201817 Aug 2018

Bibliographical note

Funding Information:
CEPV acknowledges the financial support from the Brazilian agency FAPESP grant number 2015/14899-0 and 2012/24227-1. A. R. R. acknowledges support from ICTP-SAIRF (FAPESP project 2011/11973-4) and the ICTP-Simons Foundation Associate Scheme. This work uses the computational resources from GRID-UNESP and CENAPAD/SP.

Publisher Copyright:
© Published under licence by IOP Publishing Ltd.

Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.

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