Abstract:
Extend Hückel method,as well as Green’s function based method,was used to analyse the electronic structure and electronic transmission of Au electrode-C
60,Si@C
60 or Ge@C
60 fullerene molecule Au electrode systems.Analytical results show that,due to the intervention of Au electrodes,the electronic structures of the C
60,Si@C
60 and Ge@C
60 fullerene molecules change significantly,the coalescent between C
60,Si@C
60 or Ge@C
60 fullerene molecule and Au electrodes includes not only covalent bond but also ionic bond,and the conductivities of the three electrode-fullerene molecule-Au electrode systems conform to the order of Ge@C
60> Si@C
60 >C
60.