ELECTRONIC STRUCTURE OF TITANIUM SILICIDES
(Department of Chemistry; Central South University of Technology; Changsha 410083
2.Department of Chemistry; Northern Illinois University; Dekalb 60115; U.S.A.)
2.Department of Chemistry; Northern Illinois University; Dekalb 60115; U.S.A.)
Abstract: Band structure and density of states(DOS) for five Ti-Si binary solid Ti3Si . Ti5Si3 . Ti5Si4 ,TiSi , TiSi2 were calculated by use of extended Huckel tight-binding method. The bonding characters and electronic structure of titanium silicides were described. Some trends of their bonding character variation as a function of composition were also discussed here.
Key words: titanium silicides electronic structure density of state