Polarization as a new parameter determining the laser-induced dynamics of carbon nanotubes studied by ab initio simulations
Polarization as a new parameter determining the laser-induced dynamics of carbon nanotubes studied by ab initio simulations
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DOI：
10.1016/j.carbon.2020.10.040
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发表时间：
2021-02
期刊：
影响因子：
10.9
通讯作者：
Y. Miyamoto
中科院分区：
文献类型：
--
作者：
Y. Miyamoto
众所周知，激光诱导系统的动力学由三个激光参数决定，即波长、脉宽和强度。在这项研究中，激光偏振作为一个新的参数，决定了高度各向异性材料的动力学。通过进行第一原理电子离子动力学模拟，假设激光波长为800 nm，半峰全宽为10 fs，场强为4 V/cm 2，发现碳纳米管（CNT）是脆弱的或坚固的，当极化分别平行或垂直于管轴时。观察到锯齿形和扶手椅形CNT的这种行为，因此预期仅弱依赖于CNT手性。预计所获得的结果将鼓励实验工作，使用具有受控偏振的脉冲激光来选择特定取向的碳纳米管。
It is well known that the laser-induced dynamics of a system is determined by three laser parameters, namely, wavelength, pulse width, and intensity. In this study, the laser polarization is presented as a new parameter that determines the dynamics of highly anisotropic materials. By performing first-principles electron-ion dynamics simulations assuming a laser wavelength of 800 nm, a full width at half-maximum of 10 fs, and a field intensity of 4 V/Å, carbon nanotubes (CNTs) were found to be fragile or robust when the polarization was parallel or perpendicular, respectively, to the tube axis. This behavior was observed for both zigzag and armchair CNTs and is thus expected to be only weakly dependent on CNT chirality. The obtained results are anticipated to encourage experimental efforts to select CNTs of a particular orientation using pulsed lasers with controlled polarization.