Photogalvanic Effect in Graphene‐like BC2P Monolayer from First Principles

Abstract

Herein, linear photogalvanic effect (PGE) phenomena in the BC2P monolayer without and with P‐, B‐, C‐vacancies, and P‐doping, respectively, is investigated, based on density functional theory (DFT) within the nonequilibrium Green’s function (NEGF) formalism. It is found that a robust linear PGE at the visible light range is produced in both zigzag and armchair directions for the BC2P photodetector, and photoresponse in the armchair direction is greater by three orders of magnitude than that in the zigzag direction, forming a strong anisotropy on PGE. Moreover, the BC2P armchair photodetector possesses relatively high extinction ratio corresponding to a more sensitive polarization detection. However, except for C‐vacancy case, B‐vacancy, P‐vacancy, P‐doping(B), and P‐doping(C) could not enhance the PGE of armchair photodetector. This work demonstrates further application of the BC2P monolayer for novel electronic and optoelectronic devices.