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

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. Analysis of the interatomic force revealed a significant reduction in the harmonic terms and non-monotonic growth of anharmonicity. This behavior was characterized by spatially non-uniform force screening by plasmons, which is missing from Born--Oppenheimer molecular dynamics, and is consistent with the current interpretation of laser-induced periodic structure patterning. This work provides a semi-quantitative criterion for modifying the phonon properties of non-equilibrium systems.

• Publication year

  2019

• Venue

  Physical review B

• Publication date

  2019-03-28

• Fields of study

  Materials Science, Physics, Engineering

• Identifiers
  DOI 10.1103/PhysRevB.100.085417arXiv 1903.11831
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

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