Structural properties and optical response of Na clusters in Ne, Ar, and Kr matrices

We discuss the structural properties and optical response of a small Na cluster inside rare-gas (RG) matrices of Ne, Ar, or Kr atoms. The mixed systems are described with a hierarchical model, treating the cluster at a quantum-mechanical level and the matrix atoms classically in terms of their positions and polarizations. We pay special attention to the differences caused by the different matrix types. These differences can be explained by the interplay of core repulsion and dipole attraction in the interaction between the cluster electrons and the RG atoms.

Figure 1

Radial distribution of RG atoms in ${\mathrm{Na}}_8{\mathrm{Ne}}_{428}$, ${\mathrm{Na}}_8{\mathrm{Ar}}_{434}$, and ${\mathrm{Na}}_8{\mathrm{Kr}}_{434}$ (full lines) compared with the distributions for the pure RG cluster with 447 atoms before carving the cavity (dashed lines).

Figure 2

Ground-state observables (energies and radii) for ${\mathrm{Na}}_8$ embedded in Ne, Ar, and Kr matrices of different sizes.

Figure 3

Plasmon resonance energies for ${\mathrm{Na}}_8$ in matrices of different sizes and RG materials.