碳纳米管、BN纳米管和锯齿形纳米石墨（BN，BCN）带的电容计算
Calculations of Electric Capacitance in Carbon and BN Nanotubes, and Zigzag Nanographite (BN, BCN) Ribbons
摘要：
利用扩展的哈伯德模型和最近邻库仑相互作用研究了锯齿形纳米石墨带的电子态。具有沿两个边缘分离的相反电荷的电子状态类似于纳米电容器。因此，计算使用极化率关系定义的电容以检查纳米功能。我们发现，电容的行为是有很大的不同，这取决于系统是在磁或电荷极化阶段。在磁性相，电容是由边缘状态的存在，而带宽度是小的。随着带状物变得更宽，电容随着系统发展成金属锯齿形纳米管而保持大的量值。当系统对应于半导体纳米管并且系统也处于电荷极化相时，它与宽度的倒数成比例。后一种行为可以通过电荷激发的能隙的存在来理解。BN（BCN）纳米管和带中的电子结构与半导体相似。计算出的电容与正电极和负电极之间的距离成反比。
英文摘要：
Electronic states in nanographite ribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The electronic states with the opposite electric charges separated along both edges are analogous as nanocondensers. Therefore, electric capacitance, defined using a relation of polarizability, is calculated to examine nano-functionalities. We find that the behavior of the capacitance is widely different depending on whether the system is in the magnetic or charge polarized phases. In the magnetic phase, the capacitance is dominated by the presence of the edge states while the ribbon width is small. As the ribbon becomes wider, the capacitance remains with large magnitudes as the system develops into metallic zigzag nanotubes. It is proportional to the inverse of the width, when the system corresponds to the semiconducting nanotubes and the system is in the charge polarized phase also. The latter behavior could be understood by the presence of an energy gap for charge excitations. In the BN (BCN) nanotubes and ribbons, the electronic structure is always like of semiconductors. The calculated capacitance is inversely proportional to the distance between the positive and negative electrodes.
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