石墨烯纳米带电子结构的紧束缚法研究

在推导出的一般复式格子的π电子紧束缚能量色散关系的基础上，通过假定石墨烯纳米带的电子横向限制势为无穷大硬壁势，导出石墨烯纳米带的能量色散关系及石墨烯纳米带或为金属或为半导体的条件.结果表明：石墨烯纳米带的电子结构与其几何构型（对称性及宽度）密切相关，所以通过控制几何构型，可将其调制成金属或不同带隙的半导体.这意味着石墨烯纳米带对于发展新型纳米器件具有重要意义. 关键词： 石墨烯纳米带 复式格子 紧束缚模型 电子结构

Tight binding studies on the electronic structure of graphene nanoribbons

Based on the π-electron energy dispersion relation of general compound lattices derived from the tight-binding model, and assuming that the transverse confinement potential of graphene nanoribbon is a infinite hard-wall potential，we obtain the energy dispersion relation of graphene nanoribbon and the conditions that determine whether it is metallic or semi-conducting. The results presented here show that the electronic structure of graphene nanoribbon is intimately related to its geometric structure （symmetry and width），so graphene nanoribbon can be modified as metallic or semi-conducting materials only by controlling its geometric configurations，which suggests that it is highly promising to use graphene nanoribbon to develop novel nano-scale devices.