Study of structural and electronic properties of Cs adsorption on GaAs(100)−(2×4) surface

The interaction between alkali atoms and semiconductor surface has long been studied due to the decrease of the surface work function and the chemical reaction between them. In this paper we discuss the p-doped GaAs(100) β
2
(2×4) surface prepared by molecular beam epitaxy(MBE) under low coverage of cesium and the band structure and density of states are calculated by first principles based on density function theory. The effect of the doped Zn and the adsorbed Cs on the electronic structure has been further analyzed. The model we used conclude 28 As atoms and 22 Ga atoms.