磁场中环状碳纳米卷电子结构的紧束缚法研究

Tight binding studies on the electronic structure of toroidal carbon nanoscrolls in a magnetic field

摘要:

通过考虑波矢 周期性边界条件，在石墨烯紧束缚模型基础上，构造了磁场中环状碳纳米卷模型，研究了其电子结构性质. 结果表明环状碳纳米卷的电子结构以磁通量子Φ0为周期随磁通量Φ周期性变化，通过控制手性和磁场，可将其调制成金属或不同带隙的半导体，其中m=3I (I为整数)锯齿型环状碳纳米卷的带隙受磁场的影响比较小，m=18时变化幅度仅为7 μeV .

Abstract:

By restricting the periodic boundary condition of wave vector , the model of toroidal carbon nanoscrolls in a magnetic field is constructed on the basis of graphene tight-binding model, and its electronic structure properties are studied. The results show that the electronic structure with the magnetic flux Φ0 changes periodically with the magnetic flux Φ, which can be modulated into a metal or a bandgap semiconductor by controlling the chirality and magnetic field. The bandgap of zigzag toroidal carbon nanoscrolls with m = 3I (I is integer) is less affected by magnetic field, and the variation is only 7 μeV at m =18.