Effect of nitrogen substitution on the magnetic property of cobalt clusters

We investigate the effect of nitrogen substitution on the magnetic property of cobalt clusters using a real-space formalism of pseudopotentials within the density-functional theory, i.e., the PARSEC code. We find that a few atomic percent of N substitution can enhance the net magnetic moment in comparison to that of pure Co cluster. An analysis of the spatial distribution of the local magnetic moment reveals the importance of a N-substitution site in Co cluster. By using the PARSEC code in a non-collinear magnetic mode, which enables us to explore various magnetic structures, the effect of N substitution on the magnetic anisotropy in Co cluster will also be discussed.