沈阳工业大学学报2013，Vol.35Issue(4)：390-394,5.DOI:10.7688/j.issn.1000-1646.2013.04.06
外磁场中单壁碳纳米管π电子能隙的理论计算
Theoretical calculation of π-electron energy gap for single-walled carbon nanotube in external magnetic field
摘要
Abstract
In order to obtain the electronic structure law of single-walled carbon nanotubes (SWNTs)under the action of external magnetic field,the energy band expression of π-electron of SWNTs under the action of external magnetic field was calculated with both quantum and solid state theories on the basis of tight-binding model.And then,the energy band expression of π-electron for the armchair SWNTs was obtained with the periodic boundary condition of SWNTs and crystal Bloch theorem.Furthermore,the expression of energy gap width under the action of external magnetic field was derived.And it was known that the energy gap was a periodic function of magnetic flux φ.According to the criterion of metallic SWNTs,| m-n | =3J(J =0,1,2,3,…),the armchair SWNTs (m =n) are all metallic type.However,because the energy gap may be generated under the action of external magnetic field,the law that the armchair SWNTs can transform from the metallic type into the semiconductor type gets proved.关键词
磁场/单壁碳纳米管/紧束缚模型/π电子/能带/能隙/金属型/半导体型Key words
magnetic field/single-walled carbon nanotube/tight-binding model/π-electron/energy band/energy gap/metallic type/semiconductor type分类
通用工业技术引用本文复制引用
郭连权,张平,冷利,马贺,李大业..外磁场中单壁碳纳米管π电子能隙的理论计算[J].沈阳工业大学学报,2013,35(4):390-394,5.基金项目
辽宁省教育厅基金资助项目(LR201030). （LR201030）
