Figure 2
From: Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative
Calculated geometric structures and magnetic moments of Tbn clusters.
The experimental magnetic moments in μB/atom (black squares) are compared with the results of calculations. The yellow dots show the magnetic moments from 4f-in-the-core calculations. From the LDA + U method, the green filled squares correspond to the spin moment of a collinear calculation without spin-orbit coupling and the red open circles to spin plus orbital moment of a non-collinear calculation with spin-orbit coupling. In addition, the details of cluster structure and magnetic configuration are shown, where blue (red) coloured atoms indicate spin “up” (“down”) states.
