简介:Wehavestudiedtheelectronic,bondingandenergeticcharacteristicsoftheFe-Sibinarysystemusingthetight-bondingextendedHuckelmethod.AmongtheFe-Sibinarycompounds,FeSihasthemostsymmetricgeometricarrangementinthecrystalstructure.Italsopossessesthelargestcohesiveenergyperatom.ThiscorrelatestothefactthatFeSiisthemoststablecongruently-meltingcompoundinthebulkphasediagram.Anestimateofinteractionenergiesbetweendifferentatomsisalsogiven.