Study of single of Co n (n=6, 8, 10, 12) nanoparticles structure

Electronic and geometrical structures ofCon (n=6, 8, 9, 10, 12) particles have been studied using both the density functional theory and the Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We try to recognize which structure (fee or bcc) is more preferable for these particles. A four-fold and higher 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