Physics – Atomic and Molecular Clusters
Scientific paper
2007-07-25
Phys. Rev. B 76, 014429 (2007)
Physics
Atomic and Molecular Clusters
12 pages and 9 figures
Scientific paper
The structural, electronic and magnetic properties of Co$_n$ clusters ($n=2-$20) have been investigated using density functional theory within the pseudopotential plane wave method. An unusual hexagonal growth pattern has been observed in the intermediate size range, $n=15-$20. The cobalt atoms are ferromagnetically ordered and the calculated magnetic moments are found to be higher than that of corresponding hcp bulk value, which are in good agreement with the recent Stern-Gerlach experiments. The average coordination number is found to dominate over the average bond length to determine the effective hybridization and consequently the cluster magnetic moment.
Datta Saiti
Ganguly Sangram
Kabir Mukul
Mookerjee Abhijit
Saha-Dasgupta Tanusri
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