Author/Authors :
Cao، نويسنده , , Yang and Shi، نويسنده , , Weiping and Zhou، نويسنده , , Weiqun and Zhang، نويسنده , , Zhenjiang and Feng، نويسنده , , Jianwen and Chen، نويسنده , , Wenjian، نويسنده ,
Abstract :
The three-dimensional EHMO crystal orbital program has been used to study both quasi-one-dimensional neutral polymers (C60)n and orthorhombic doped polymers (KC60)n and (RbC60)n. Our calculated results show that metallic conducting phases are formed in (KC60)n and (RbC60)n. The characteristics of the crystal orbitals near the Fermi level for all doped polymeric fullerenes are completely carbon like. These dopant K and Rb atoms are thoroughly ionized and the C60 molecules form stable negative charge states with one additional electron in each C60 molecule.
