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The band structures of Group IVB (Ti,Zr,Hf),VB (V,Nb,Ta) and VIB (Cr,Mo,W) transition metals and some of their carbides and nitrides (TiN,ZrN,HfN,VC,NbC,TaC,VN,NbN,TaN) with NaCl-type (Bl-type) structure have been calculated by using the tight-binding method within the Extended Hiickel approximation (EHT).The energy bands,densities of states and crystal orbital overlap populations are given.The relationship between the bonding properties and the superconducting transition temperatures (Tc) of them is discussed.The influences of various kinds of metallic atoms and changes of bond lengths on Tc are also discussed.
The band structures of Group IVB (Ti, Zr, Hf), VB (V, Nb, Ta) and VIB (Cr, Mo, W) transition metals and some of their carbides and nitrides (TiN, ZrN, HfN, VC, NbC , TaC, VN, NbN, TaN) with NaCl-type (Bl-type) structures have been calculated by using the tight-binding method within the Extended Hiickelimation (EHT). Energy bands, densities of states and crystal orbital overlap populations are given. The relationship between the bonding properties and the superconducting transition temperatures (Tc) of them is discussed. These influences of various kinds of metallic atoms and changes of bond lengths on Tc are also discussed.