STABILITY AND MAGNETIC PROPERTIES OF Co2Om (m = 1; : : : ; 7) CLUSTERS

In the present work theoretical investigations of Co2Om (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 CoCo 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