Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn and As@Mn
arXiv:0707.3825 · doi:10.1103/PhysRevB.75.214433
Abstract
Using first-principles density functional calculations, we have studied the magnetic ordering in pure Mn (10, 13, 15, 19) and As@Mn (10) clusters. Although, for both pure and doped manganese clusters, there exists many collinear and noncollinear isomers close in energy, the smaller clusters with 5 have collinear magnetic ground state and the emergence of noncollinear ground states is seen for 6 clusters. Due to strong hybridization in As@Mn clusters, the binding energy is substantially enhanced and the magnetic moment is reduced compared to the corresponding pure Mn clusters.
arXiv comment10 Pages and 5 Figures
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