A negative electron affinity photocathode can be obtained by adsorbing Cs on the emission layer surface of photocathode, which greatly improves the number of electrons escaped and the quantum efficiency. Based on first principles, this paper studies the structural and electronic properties of Cs-adsorbed GaN monolayer and bilayer. The results reveal that the Cs-adsorbed GaN monolayer is the most stable when Cs atom is adsorbed at T Ga site. There is a significant charge transfer between Cs atom and GaN monolayer, and the difference in electronegativity makes electrons of Cs atom transfer to GaN monolayer system. Cs adsorption can reduce band gap, work function, and electron affinity, which is conducive to the escape of electrons and improvement of quantum efficiency. Cs adsorption is helpful for tuning optical properties of GaN monolayer. For the GaN bilayer, greater stability and lower work function make the Cs adsorbed above the top layer of GaN bilayer be more beneficial to the improvement of photoelectric performance.
Novelty StatementBased on first principles, this paper studies the structure and electric properties of Cs-adsorbed GaN monolayer and bilayer. Cs adsorption can reduce band gap, work function, and electron affinity, which is conducive to the escape of electrons and improvement of quantum efficiency. And for the GaN bilayer, greater stability and lower work function make the Cs adsorbed above the top layer of GaN bilayer be more beneficial to the improvement of photoelectric performance.
K E Y W O R D Scharge transfer, Cs adsorption, first principles, GaN bilayer, GaN monolayer
| INTRODUCTIONCs-activated GaN photocathode has been applied in flame detection, 1 corona detection, 2 ultraviolet communication, 3 and other fields. Because Cs activation plays an important role in reducing surface barrier and work function, it helps the photocathode achieve a negative electron affinity state which is beneficial to photoelectron emission. 4 In recent years, there are many theoretical and experimental studies on Cs-absorbed GaN surface reported successively. The GaN photocathode prepared by Machuca et al. 5 had a quantum efficiency (QE) of 50% at 310 nm after Cs activation. Norton et al 6 achieved a high-quality GaN emission layer with 40% QE at 185 nm by using Cs treatment. Du et al 7 discussed the adsorption mechanism of Cs based on first principles and showed that Cs adsorption can reduce