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arXiv 1010.0785cond-mat.mes-hallcond-mat.mtrl-sci
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利用外加电场控制小束碳纳米管的带隙:密度泛函理论研究

Band gap control of small bundles of carbon nanotubes using applied electric fields: A density functional theory study

Gunn Kim, J. Bernholc, Young-Kyun Kwon

摘要:

在小的碳纳米管束中,碳纳米管之间的静电屏蔽导致由垂直于束轴的电场诱导的开关行为。利用第一性原理方法,我们研究了由两个或三个碳纳米管组成的束的电子结构以及垂直于束轴施加的电场的影响。所施加的场导致半导体束中的带隙闭合,而间隙开口发生在金属束中,这使得束电导率能够进行相当大的调制。调制效应源于相邻管壁之间的静电屏蔽引起的对称性破缺。

英文摘要:

Electrostatic screening between carbon nanotubes (CNTs) in a small CNT bundle leads to a switching behavior induced by electric field perpendicular to the bundle axis. Using a first-principles method, we investigate the electronic structures of bundles consisting of two or three CNTs and the effects of the electric field applied perpendicular to the bundle axis. The applied field causes band gap closure in semiconducting bundles, while a gap opening occurs in metallic ones, which enables considerable modulation of bundle conductivity. The modulation effect originates from symmetry breaking due to electrostatic screening between the adjacent tube walls.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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