Geometrical structure of small Co nanoparticles

Proceedings of SPIE, Vol. 6596, ISSN 0277-786X. Artc. no. 65961GElectronic and geometrical structures of Con (n=4, 6, 8) particles have been studied using both the density functional theory and the Hartree-Fock calculations. Structural differences to the corresponding clusters are presented. Four-fold coordination of the Co atoms was found to be a particularly preferable coordination environment in small Con species. The key element of the Co particle is suggestedVilniaus pedagoginis universitetasVilniaus universitetasVytauto Didžiojo universitetasŠvietimo akademij