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Structure and Magnetism of Neutral and Anionic Palladium Clusters

M. Moseler·H. Hakkinen·R. N. Barnett·U. Landman
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Abstract

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.

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M. Moseler, H. Hakkinen, R. N. Barnett, U. Landman. 2001-01-16. Structure and Magnetism of Neutral and Anionic Palladium Clusters. https://doi.org/10.1103/physrevlett.86.2545

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