摘要
通过卷曲石墨烯,构造了有限长碳纳米卷模型.基于能带理论中紧束缚近似方法,推导并研究了与手性、结构参数及卷长相关的色散关系解析表达式.结果表明,随着几何结构的变化,碳纳米卷会呈现出金属-半导体转变,及与卷长有关的不同的渐近带隙行为:振荡型衰减、单调衰减和不变.
The model of finite length carbon nanoscrolls are constructed from rolling graphene sheets. Based on the tight-binding approach in the energy-band theory, an analytical relation between dispersion relation, chirality, structural parameters and length is derived and analyzed. The relation immediately suggests that with different geometric structures, there arise metal-semiconductor transition and distinct asymptotic band-gap behaviors as a function of length: damped oscillations decaying, monotonic decay, and constant.
作者
王昭
WANG Zhao(Dehong Normal College, Luxi 678400, Chin)
出处
《四川大学学报(自然科学版)》
CAS
CSCD
北大核心
2018年第3期594-600,共7页
Journal of Sichuan University(Natural Science Edition)
关键词
碳纳米卷
紧束缚模型
电子结构
能隙
态密度
Carbon nanoscrolls
Tight-binding model
Electronic structure
Band gap
Density of state