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Ab initio approach to lattice softening of an Al slab driven by collective electronic excitations after ultrashort laser pulse irradiation

机译:从头开始方法在超短激光脉冲辐照下由集体电子激发驱动的铝板晶格软化

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摘要

Recent advances in ultrashort laser pulse techniques have opened up a wide variety of applications in both fundamental physics and industrial fields. In this work, ab initio molecular dynamics simulations based on time-dependent density functional theory revealed a steady deceleration of lattice distortion propagation in an aluminum slab with increasing laser pulse intensity. Analyzing the interatomic force revealed a significant reduction in the harmonic terms and nonmonotonic growth of anharmonicity. This is characterized by spatially nonuniform force screening by plasmon under a nonperturbative excitation condition that is not captured in Born-Oppenheimer molecular dynamics, and is consistent with the current interpretation of laser-induced periodic structure patterning. This work highlights the significance of collective electronic excitations for modeling the structure formation in such a system.
机译:超短激光脉冲技术的最新进展已经在基础物理和工业领域中打开了广泛的应用。在这项工作中,基于时变密度泛函理论的从头算分子动力学模拟显示,随着激光脉冲强度的增加,铝板中晶格畸变传播的稳定减速。分析原子间力后,谐波项显着减少,非谐性非单调增长。其特征在于,在非微扰激发条件下,等离子体激元在空间上不均匀地进行力筛选,这在Born-Oppenheimer分子动力学中没有捕获,并且与当前对激光诱导的周期性结构图案的解释一致。这项工作强调了集体电子激励对于在这种系统中对结构形成进行建模的重要性。

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  • 来源
    《Physical review》 |2019年第8期|085417.1-085417.6|共6页
  • 作者单位

    Natl Inst Adv Ind Sci & Technol Res Ctr Computat Design Adv Funct Mat Cent 2 Tsukuba Ibaraki 3058568 Japan;

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