单壁和多壁碳纳米管中电子输运的模拟

A. Mayer
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引用次数: 0

摘要

我们模拟了单壁和多壁碳纳米管中的电子输运,它们被放置在两个金属触点之间。碳原子用局部伪势表示,用传递矩阵法求解薛定谔方程。结果表明,电子在它们最初被注入的壳层中持续传播,即使考虑到微米长的距离,转移到其他管的电流也几乎不超过整个电流的1%。电导和电流的再分配可以追溯到纳米管的能带结构。因此,这些模拟表明,只要能使电子进入给定的多壁纳米管壳层,就有可能将它们用作独立的传导通道。
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Simulations of electronic transport in single-wall and multi-wall carbon nanotubes
We present simulations of electronic transport in single-wall and multi-wall carbon nanotubes, which are placed between two metallic contacts. The carbon atoms are represented by a local pseudopotential, and a transfer-matrix technique is used to solve the Schrodinger equation. Results show that electrons continuously propagate in the shell in which they are initially injected, with transfers to other tubes hardly exceeding one percent of the whole current even when micron-long distances are considered. The conductance and repartition of the current are traced to the band structure of the nanotube. These simulations thus show that provided one can prepare the electrons to enter a given shell of multi-wall nanotubes, it may be possible to use them as independent conduction channels.
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