Linear photogalvanic effects in monolayer WSe2 with defects

Abstract

Linear photogalvanic effects in monolayer WSe2 with defects are investigated by non-equilibrium Green’s function technique combined with density functional theory. Monolayer WSe2 generates photoresponse in the absence of external bias voltage, showing potential applications in low-power consumption photoelectronic devices. Our results show that the photocurrent changes in perfect sine form with the polarization angle. The maximum photoresponse Rmax produced in the monoatomic S substituted defect material is 28 times that of the perfect material when the photon energy is 3.1 eV irradiated, which is the most outstanding among all the defects. Monoatomic Ga substitution extinction ratio (ER) is the largest, and its ER value is more than 157 times that of the pure condition at 2.7 eV. As the defects concentration increases, the photoresponse is changed. The concentrations of Ga substituted defects have little effect on the photocurrent. The concentrations of Se/W vacancy and S/Te substituted defect have a great influence on the photocurrent increase. Our numerical results also show that monolayer WSe2 is a candidate material for solar cells in the visible light range and a promising polarization detector material.