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Eigenstates and transmission coefficients of finite-sized carbon nanotubes

机译:有限尺寸碳纳米管的本征态和传输系数

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The tight-binding eigenstates of isolated finite-sized zigzag and armchair nanotubes are obtained analytically using the transfer matrix method. Edge states are encountered for zigzag tubes but not for anmchair tubes. Inclusion of curvature leads to a decaying-oscillating behavior of the highest occupied and lowest unoccupied molecular orbital gap in armhair tubes as a function of length. For zigzag tubes the inclusion of curvature induces the conversino of an extended state at nonbonding energy to an edge state. In addition the transmision coefficient of zigzag and armchair tubes with featureless leads is analytically obtained. The existence of a transmission peak at the Fermi level that decays exponentially with nanotube length for zigzag tubes is explained.
机译:分离的有限大小的之字形和扶手椅状纳米管的紧密结合本征态是使用转移矩阵法解析获得的。曲折管会遇到边缘状态,但安乐椅管不会遇到边缘状态。包含曲率会导致臂毛管中最大占据和最小未占据的分子轨道间隙随长度的衰减振荡行为。对于之字形管,曲率的包含会导致在非结合能状态下将延伸状态转换为边缘状态。另外,通过分析获得具有无特征引线的之字形和扶手椅形管的透射系数。解释了曲折管的费米能级随纳米管长度呈指数衰减的透射峰的存在。

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