Spatially resolved dynamic structure factor of finite systems from molecular dynamics simulations

Area of Science:

• Condensed Matter Physics
• Materials Science
• Computational Physics

Background:

• Metallic clusters exhibit unique electronic properties distinct from bulk materials.
• Understanding collective electron excitations is crucial for nanoscale optical and electronic applications.

Purpose of the Study:

• To investigate the dynamical response and collective electron excitations in metallic clusters.
• To analyze the spatial structure and optical properties of laser-excited nano plasmas.
• To determine the influence of various parameters on the collective excitation modes.

Main Methods:

• Restricted molecular dynamics simulations were employed for clusters up to 10^3 atoms.
• Bilocal correlation functions were evaluated to probe collective excitations.
• Analysis included varying electron density, temperature, cluster size, and ionization degree.

Main Results:

• Resonances in the bilocal correlation function spectrum indicate distinct collective excitation modes.
• The spatial structure, resonance energy, and width of these eigenmodes were characterized.
• Comparison with bulk material properties was performed.

Conclusions:

• The study successfully characterized collective excitation modes in metallic clusters.
• The findings provide a deeper understanding of nanoscale plasma behavior and optical responses.
• Results offer insights for designing materials with tailored electronic and optical properties.