Abstract
The electronic structure of Nb 4 clusters has been calculated within the spin-polarized local density approximation using the LCAO method. The calculations were performed for a pyramidal and a planar structure with equal bond lengths extending from the value in the bulk, to the value for the dimer. The position and symmetry of the HOMO and LUMO levels depend strongly on the bond length in the pyramidal as well the planar structure. All clusters are diamagnetic except for the planar structure with a bond length longer than 4.85 au for which a net spin polarization is obtained.
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