Magnetic and electronic properties of the nickel clusters Ni n ( n ⩽ 30)

Abstract

The magnetic property and electronic properties such as ionization potentials and electron affinities of the Ni n ( n ⩽ 30) neutral and ionic clusters have been studied using the density functional theory calculations with the PBE exchange–correlation energy functional. The variations of the calculated magnetic and ionization potential behaviors of the neutral Ni n ( n ⩽ 30) clusters are in good agreement with the experimental data. The tendency of the calculated electron affinity is generally consistent with but has small deviations from the experimental results.