Embedded metal cluster in strong laser fields

作者：Fehrer F; Dinh P M; Reinhard P G^*; Suraud E

来源：Computational Materials Science, 2008, 42(2): 203-211.

DOI：10.1016/j.commatsci.2007.07.005

• metal clusters
• rare gas matrix
• strong laser fields
• energy transport
• coulomb explosion
• pump-probe analysis
• time-dependent density-functional theory
• polarization potentials

We discuss microscopic mechanisms of the violent dynamics following strong laser excitation of a metal cluster embedded in a rare gas matrix, taking as test case Na(8)@Ar(434). This covers at least two aspects: first, it represents the typical experimental situation of metal clusters handled in rare gas matrices or a finite drop of surrounding rare gas material, and second, it serves as a generic test case for highly excited chromophores in inert surroundings addressing questions of energy transport and perturbation of the medium. We simulate the process up to 10 ps using a mixed quantum-mechanical (for the electrons) and classical (ions and atoms) approach and analyze the emerging dynamics with respect to all basic constituents: cluster electrons, cluster ions, and matrix atoms. We find several stages of relaxation taking place with time scales from a few fs to over a few ps and much slower processes remaining for long after the simulation. A particularly interesting aspect is that the surrounding rare gas material stabilizes a highly charged metal cluster which would otherwise explode without delay.

• 出版日期2008-4