Fig. 6 | npj Computational Materials

Fig. 6

From: Mechanical properties of Fe-rich Si alloy from Hamiltonian

Fig. 6

Variations of local magnetic moments (in\({\mu }_{B}\)) and Voronoi volumes (in °A3) in the atomic sites of the Σ3 (111) GB in Fe.33 The horizontal axis indicates the atomic site identified in Fig. 5 (b), and each number means the atomic-layer number from the interface layer “1” in the configuration with mirror-plane symmetry. Red and blue horizontal broken lines show the bulk magnetic moment and the bulk Voronoi volume, respectively

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