Abstract
The properties of neutral and anionic clusters were investigated with spin-density-functional calculations. The ground-state structures are three dimensional for and they are magnetic with a spin triplet for and a spin nonet for neutral clusters. Structural and spin isomers were determined and an anomalous increase of the magnetic moment with temperature is predicted for a ensemble. Vertical electron detachment and ionization energies were calculated and the former agrees well with measured values for .
- Received 15 August 2000
DOI:https://doi.org/10.1103/PhysRevLett.86.2545
©2001 American Physical Society