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论文摘要

有限长碳纳米卷电子结构的紧束缚法研究

Tight binding studies on electronic structure of finite length carbon nanoscrolls

作者:王昭(德宏师范高等专科学校)

Author:WANG Zhao(Dehong Normal College)

收稿日期:2016-09-14          年卷(期)页码:2018,55(3):594-600

期刊名称:四川大学学报: 自然科学版

Journal Name:Journal of Sichuan University (Natural Science Edition)

关键字:碳纳米卷;紧束缚模型;电子结构;能隙;态密度

Key words:Carbon nanoscrolls; Tight-binding model; Electronic structure; Band gap; Density of state

基金项目:

中文摘要

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。

英文摘要

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.

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