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金属氧化物的激光辅助场蒸发:一项含时密度泛函理论研究。

Laser-assisted field evaporation of metal oxides: A time-dependent density functional theory study.

作者信息

Xia Yu, Li Zhibing

机构信息

School of Physics, Sun Yat-sen University, No. 135 Xingang Xi Road, Guangzhou 510275, People's Republic of China.

出版信息

J Chem Phys. 2016 Nov 28;145(20):204704. doi: 10.1063/1.4968213.

Abstract

To understand laser-assisted field evaporation of semiconductors and insulators at the microscopic level, we study the time evolution of the electronic and atomic structure of a MgO cluster in high electrostatic fields subjected to strong laser pulses. We find that the critical laser intensity for evaporation decreases linearly as the electrostatic field strength increases. The optical absorption enhancement in high electrostatic field is confirmed by the redshift of the optical absorption spectra, the reduction of the energy gap, and the increase of the absorption cross section.

摘要

为了在微观层面理解半导体和绝缘体的激光辅助场蒸发过程,我们研究了在强激光脉冲作用下处于高静电场中的氧化镁团簇的电子和原子结构随时间的演化。我们发现,随着静电场强度的增加,蒸发所需的临界激光强度呈线性下降。高静电场中光吸收的增强通过光吸收光谱的红移、能隙的减小以及吸收截面的增加得到证实。

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