2021/02/03 by Mohsen Rezaei, Hossein Karbaschi, Mohsen Amini +4
Chemistry · Engineering · Materials Science · Physics and Astronomy · #2D Materials and Applications #Advanced Thermoelectric Materials and Devices #Band gap #Chemistry #Condensed matter physics #Electronic band structure #Impurity #Materials science #Optoelectronics #Perovskite Materials and Applications #Phosphorene #Physics #Seebeck coefficient #Semiconductor #Thermal conductivity #Thermoelectric effect #Vacancy defect #cond-mat.mes-hall
paper · pdf · doi:10.1088/1361-6528/ac08ba
arxiv created 2021/02/03 · openalex publication_date 2021/06/07 · arxiv updated 2021/08/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Armchair phosphorene nanoribbons (APNRs) are known to be semiconductors with an indirect bandgap. Here, we propose to introduce new states in the gap of APNRs by creating a periodic structure of vacancies (antidots). Based on the tight-binding model, we show that a periodic array of vacancies or nanopores leads to the formation of an impurity band inside the gap region. We first present an analytical expression for the dispersion relation of an impurity band induced by hybridization of bound states associated with each single vacancy defect. Then, we increase the size of vacancy defects to include a bunch of atoms and theoretically investigate the effect of nanopores size and their spacing on electronic band structure, carrier transmission function, and thermoelectric properties. Our analysis of the power generation rate and thermoelectric efficiency of these structures reveals that an ANPR can be used as a superb thermoelectric power generation module.