A simple tight-binding model for typical graphyne structures

	A simple tight-binding model for typical graphyne structures
	Liu Z.; Yu G. D.; Yao H. B.; Liu L.; Jiang L. W.; Zheng Y. S.
	2012
发表期刊	New Journal of Physics
ISSN	1367-2630
卷号	14
摘要	A pi-electronic tight-binding (TB) model with, at most, three independent parameters is found to well fit the density functional theory results about the dispersions of the conduction and valence bands of alpha-, beta-, gamma- and (6,6,12)-graphyne. By means of such a toy model, the electron-hole symmetry in these graphynes is demonstrated. An explicit expression of the dispersion relation of alpha-graphyne is obtained. The position of the Dirac point on a particular Gamma-M line in the Brillouin zone of beta-graphyne is analytically determined. The absence of Dirac cones in gamma-graphyne is intuitively explained. Based on these interesting results, it is believed that this TB model provides a simple but effective theoretical approach for further study of the electronic and transport properties of these typical graphynes.
收录类别	SCI ; EI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/34104
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Liu Z.,Yu G. D.,Yao H. B.,et al. A simple tight-binding model for typical graphyne structures[J]. New Journal of Physics,2012,14.
APA	Liu Z.,Yu G. D.,Yao H. B.,Liu L.,Jiang L. W.,&Zheng Y. S..(2012).A simple tight-binding model for typical graphyne structures.New Journal of Physics,14.
MLA	Liu Z.,et al."A simple tight-binding model for typical graphyne structures".New Journal of Physics 14(2012).