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Different effects of electronic excitation on metals and semiconductors

机译：电子激发对金属和半导体的不同影响

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摘要

We study the electronic excitation effect upon ultrafast and intense laser irradiation on the stability of target materials, using density functional perturbation theory. The target materials include metals (Li, Na, Mg, Al, K, W, Au), Bi as a semimetal, and Si as a semiconductor. We found that the electronic excitation had different effects on the two distinct materials. For metals, the electronic pressure induces an increase in the shear modulus and presents a negative effect on the phonon entropy, which increases the lattice vibration frequency and melting temperature, leading to a higher stability for the close-packed structure (Al, Au, Mg). Conversely, the electronic pressure induces a decreasing trend in all these quantities, leading to a lower degree of stability and even a structural destabilization in the case of bcc-structured metals (W, Na, K, and Li). For semimetals and semiconductors, the internal pressure induces a completely opposite behavior with respect to close-packed structure metals. This can lead to structural destabilization for semimetals and even collapse for semiconductors. Finally, a shift of the Raman and infrared active modes is revealed for semimetals and semiconductors.
机译：我们使用密度泛函微扰理论研究了超快强激光辐照对靶材料稳定性的电子激发效应。目标材料包括金属（Li，Na，Mg，Al，K，W，Au），Bi作为半金属和Si作为半导体。我们发现电子激发对两种不同的材料具有不同的影响。对于金属，电子压力会引起剪切模量增加，并对声子熵产生负面影响，从而增加晶格振动频率和熔化温度，从而导致密排结构（Al，Au，Mg ）。相反，在bcc结构的金属（W，Na，K和Li）的情况下，电子压力会导致所有这些量的下降趋势，从而导致较低的稳定性，甚至导致结构不稳定。对于半金属和半导体，内部压力引起与密排结构金属完全相反的行为。这可能导致半金属的结构不稳定，甚至导致半导体崩溃。最后，揭示了半金属和半导体的拉曼和红外激活模式的转变。

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  • 来源
    《Physical review》 |2016年第21期|214302.1-214302.9|共9页
  • 作者

    Gai-Qin Yan; Xin-Lu Cheng; Hong Zhang; Zhi-Yang Zhu; Da-Hua Ren;

  • 作者单位

    Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;

    Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China,Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China;

    Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China,Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China,College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;

    Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;

    Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;

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