Calculation of the magnetic properties of CoN clusters on Pd(111)

The magnetic properties of Co-N clusters (N less than or equal to 7) deposited on Pd(111) have been determined in the framework of a self-consistent d-band model Hamiltonian. Results are given for the spin and orbital magnetic moments and for the magnetic anisotropy energy for different structures of the Co-N clusters. We find that the magnetic orbital contribution to the total magnetic moment can be of the order of 20%. The magnetization direction of Co-N changes in most cases from in-plane to off-plane upon deposition. We observe that the main contribution to the magnetic anisotropy energy results from the cluster-substrate interface. Comparison of the magnetic properties between deposited and free clusters is also provided. (C) 2000 American Institute of Physics. [S0021-8979(00)67808-8].