Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory

被引:0
作者
Wang Zhi-Ping [1 ]
Chen Jian [1 ]
Wu Shou-Yu [1 ]
Wu Ya -Min [1 ]
机构
[1] Jiangnan Univ, Sch Sci, Wuxi 214122, Peoples R China
基金
中国国家自然科学基金;
关键词
time-dependent density functional theory; molecular dynamics; ionization of molecules; carbon atomic wire; CLUSTERS; CHAINS;
D O I
10.7498/aps.62.123302
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Combining the time-dependent density functional theory with molecular dynamics of ions the excitation of the carbon wire C-5 is explored. It is found that the stronger the laser intensity, the more energies are absorbed by C-5 and the earlier the ionization takes place and the more electrons are emitted when considering the effect of the laser intensity on the excitation of the carbon wire C-5. The study of the influence of the polarization of the laser pulse on the excitation of C5 indicates that the ionization is enhanced and the dipole moment along the laser polarization is strengthened when the laser polarization is along the molecular axis, and the x-direction polarized laser pulse can only excite the dipole oscillation along the x axis, and the y-direction polarized one can only excite D-y. Furthermore, it is found that the synchronicity of the vibration of carbon bonds changes a little due to the enhanced ionization when the laser polarization is along the molecular axis, while the vibration modes of ionized carbon wire C-5 are the same as those of the neutral carbon wire C-5.
引用
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页数:6
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