Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si

The electronic and optical properties of B or Si single-doped phosphorene and ones of B and Si co-doped phosphorene are computed and compared by first-principles calculations. By B doping, the bandgap of phosphorene decreases from 0.92 to 0.65 eV, while Si doping directly changes the system from a d...

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Bibliographic Details
Main Authors: Rong Qiao, Xiao Dong, Yangfan Li
Format: Article
Language:English
Published: AIP Publishing LLC 2022-06-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0096441