Cs adsorption characteristics on β-Ga1.9375Mg0.0625O3 (100) surface: the first principles calculation investigation

Abstract

Abstract In order to explore the practicability of β-Ga1.9375Mg0.0625O3 (100) surface as photoemission material, the structural stability, electronic and optical properties of Cs on β-Ga1.0975Mg0.0625O3 (100) surface are calculated by the first principles calculation. The adsorption structure is the most stable when Cs atom on the top of Mg atom. It is found that Cs adsorption on β-Ga1.0975Mg0.0625O3 (100) surface can reduce work function duo to the existence of dipole moment and generate slight band bending. The adsorption edge rapidly increases at 205\u2009nm, which means that Cs/β-Ga1.9375Mg0.0625O3 (100) surface is a potential optical material at DUV region.