Tunable photo-induced electronic property of octahedral metal clusters

Electronic-structure-induced deformations of liquid metal clusters.

Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures 500 · · · 1100 K. Open-shell Na14 cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na8 remains magic also at the liquid state. Typeset using REVTEX

Electronic property and reactivity of (hydroperoxo)metal compounds.

DFT calculations were done for the (hydroperoxo)metal complexes with eta1-coordination mode, where metal ions are Fe(III), Al(III), Cu(II) and Zn(II). Results shows that 1) the electron density at the two oxygen atoms of the hydroperoxide ion is highly dependent on the angle O-O-H in M-OOH species and the difference in electron density between the two oxygen atoms reaches a maximum at the angle...

Optical Forces Induced by Metal Nanoparticle Clusters

The strong field localization generated between closely placed metal particles excited by electromagnetic radiation induces intense forces on small polarizable objects. In this study we investigate the optical forces that can be generated in the vicinity of metal nanoparticle clusters using fully electrodynamic numerical simulations. The influence of the cluster configuration as well as of the ...

Nonradiative Electronic Deexcitation Time Scales in Metal Clusters

The life-times due to Auger-electron emission for a hole on a deep electronic shell of neutral and charged sodium clusters are studied for different sizes. We consider spherical clusters and calculate the Auger-transition probabilities using the energy levels and wave functions calculated in the LocalDensity-Approximation (LDA). We obtain that Auger emission processes are energetically not allo...

Ultrafast photo-induced charge transfer unveiled by two-dimensional electronic