The four kinds of atoms,such as carbon(C),oxygen(O),copper(Cu)and sodium(Na),are adsorbed on the Si(001)surface,the curves of the band structure and density of states with different elements were plotted.From the curves,the pseudogap,forbidden bandwidth,energy curve of the ups and downs,the trend of Fermi level in the graphics and density of states at the Fermi level were analyzed and compared for different elements absorption.Through comparative analysis,the conclusions were come to.Research Conclusions: the property of absorption element decides the localization properties of electronic,the pseudogap,forbidden bandwidth,Energy curve of the ups and downs,the trend of Fermi level in the graphics,density of states at the Fermi level and etc.