石墨烯
紧密结合
色散(光学)
k-最近邻算法
结合能
碳纳米管
色散关系
物理
材料科学
凝聚态物理
量子力学
纳米技术
计算机科学
电子结构
人工智能
作者
Stephanie Reich,Janina Maultzsch,C. Thomsen,Pablo Ordejón
出处
期刊:Physical review
日期:2002-07-19
卷期号:66 (3)
被引量:1035
标识
DOI:10.1103/physrevb.66.035412
摘要
We investigate the tight-binding approximation for the dispersion of the $\ensuremath{\pi}$ and ${\ensuremath{\pi}}^{*}$ electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed ${\ensuremath{\gamma}}_{0}$ applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbors qualitatively improves the tight-binding picture, as we show for graphene and three selected carbon nanotubes.
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