Study of Electronic Structure of Si(113) Surface
Si(113)表面电子结构的研究

Electronic structure calculations of clusters Si_(16)H_(21) and Si_(37)H_(39) simulating Si(113) andSi(111) surfaces,respectively, have been carried out using semiempirical CNDO SCF method.The results indicate that the characters of surface states on Si(113) are different from thoseon Si (111). At the stepped and the terrace atoms, the charge are redistributed.The surfacestates relavent to dangling bonds are mostly localized at the surface atoms,especially concen-trated in directions of dangling bonds.The density of dangling bond surface states on Si(113) is larger than that on Si(111). Our calculated results can be used to explain the previousHel photoemission spectroscopy.