Stability and magnetic properties of Co2Om (m = 1,...,7) clusters

Abstract

In the present work theoretical investigations of Co₂O_m (m = 1, ... , 7) by applying density functional approach are performed. Calculations reveal that the stability of these compounds increases when the number of O atoms increases. The increase of the number of the oxygen atoms leads to the elongation of the Co–Co bond length. We obtain that the most stable nanoparticle (NP) is Co₂O₆. Investigation of magnetization indicates that the NP with high symmetry is demonstrating the paramagnetic features. Calculation results show that only Co₂O₃ and Co₂O₄ display paramagnetic properties while other investigated NPs (Co₂O, Co₂O₂, and Co₂O₆) exhibit diamagnetic properties.
Keywords: nanoparticles, magnetizability, stability
PACS: 31.15.Ar, 31.15.Ew, 33.15.-e