arXivDaily arXiv每日学术速递 周一至周五更新
北美退伍军人节(Veterans Day),12 日无更新
arXiv 1010.0069cond-mat.mes-hall
收藏

碳纳米管在纯弯曲下的电子和光学趋势

Electronic and optical trends in carbon nanotubes under pure bending

Pekka Koskinen

摘要:

碳纳米管的高纵横比使它们易于弯曲。因此,了解弯曲如何影响管对于管识别和电气元件设计至关重要。然而,由于平移对称性破缺所带来的技术问题,很少有研究探讨在屈曲极限以下的小弯曲下的管。在这封信中,一个具有成本效益的和精确的建模单壁纳米管在这样小的弯曲是通过修改周期性的边界条件,结合密度泛函紧束缚。由此产生的,弯曲引起的电子和光学性质的变化属于明确的手性依赖的趋势家庭。虽然正确的趋势需要全面的结构放松,但它们可以通过一个一般性论点来理解。了解这些趋势填补了我们对碳纳米管性质理解的根本空白。

英文摘要:

The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated tubes under small bending well below the buckling limit, because of technical problems due to broken translational symmetry. In this Letter a cost-effective and exact modeling of singe-walled nanotubes under such small bending is enabled by revised periodic boundary conditions, combined with density-functional tight-binding. The resulting, bending-induced changes in electronic and optical properties fall in clear chirality-dependent trend families. While the correct trends require full structural relaxation, they can be understood by one general argument. To know these trends fills a fundamental gap in our understanding of the properties of carbon nanotubes.

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。

↑