Dumitrică Traian, Garcia Martin E, Jeschke Harald O, Yakobson Boris I
Institut für Theoretische Physik, Freie Universität Berlin, Berlin, Germany.
Phys Rev Lett. 2004 Mar 19;92(11):117401. doi: 10.1103/PhysRevLett.92.117401. Epub 2004 Mar 16.
We demonstrate the possibility of a selective nonequilibrium cap opening of carbon nanotubes as a response to femtosecond laser excitation. By performing molecular dynamics simulations based on a microscopic electronic model we show that the laser-induced ultrafast structural changes differ dramatically from the thermally induced dimer emission. Ultrafast bond weakening and simultaneous excitation of two coherent phonon modes of different frequencies, localized in the spherical caps and cylindrical nanotube body, are responsible for the selective cap opening.
我们证明了碳纳米管选择性非平衡帽开口作为对飞秒激光激发响应的可能性。通过基于微观电子模型进行分子动力学模拟，我们表明激光诱导的超快结构变化与热诱导的二聚体发射有显著差异。超快键弱化以及不同频率的两种相干声子模式的同时激发，它们局域在球形帽和圆柱形纳米管主体中，是选择性帽开口的原因。
