The properties of neutral and anionic Pd_N clusters were investigated with spin-density-functional calculations. The ground state structures are three-dimensional for N>3 and they are magnetic with a spin-triplet for 2<=N<=7 and a spin nonet for N=13 neutral clusters. Structural- and spin-isomers were determined and an anomalous increase of the magnetic moment with temperature is predicted for a Pd_7 ensemble. Vertical electron detachment and ionization energies were calculated and the former agree well with measured values for anionic Pd_N clusters.
@article{arxiv.physics/0101069,
title = {Structure and Magnetism of Neutral and Anionic Palladium Clusters},
author = {M. Moseler and H. Hakkinen and R. N. Barnett and U. Landman},
journal= {arXiv preprint arXiv:physics/0101069},
year = {2009}
}
Comments
5 pages, 3 figures, fig. 2 in color, accepted to Phys. Rev. Lett. (2001)