Sp(3) s* hybridization effect on the electronic properties of C-60 cluster

作者：Guo, ZH^*; Yan, XH; Cao, JX

来源：Physica B: Condensed Matter , 2004, 352(1-4): 325-329.

DOI：10.1016/j.physb.2004.08.007

• Sp(3) s* tight-binding model
• C-60 cluster
• electronic states
• band structure

We develop an sp(3)s* tight-binding model to study the band structure and the electronic probability density Of C-60 cluster. The calculated energy gap 1.893 eV is in good agreement with the experimental value. The valence band and the conduction band can be described very well by our calculated results.

• 出版日期2004-10-30
• 单位湘潭大学; 湖南大学