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


الملخص بالإنكليزية

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.

تحميل البحث