Structure and Magnetism of Neutral and Anionic Palladium Clusters
Preprint
- 16 January 2001
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.Keywords
All Related Versions
- Version 1, 2001-01-16, ArXiv
- Published version: Physical Review Letters, 86 (12), 2545.
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