Figure 6: Geometry of the exchange interaction. | Nature Communications

Figure 6: Geometry of the exchange interaction.

From: Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices

Figure 6

(a) Interaction topology between the MPyipa2 (M=Ni or Co) and the surface Fe ions. Optimized geometry of the singly occupied magnetic orbitals for Ni(Pyipa)2 (b) and Co(Pyipa)2 (c). Positive (red) and negative (green) isosurfaces for the high-spin solution. C, grey; N, lilac; O, red; P, orange; Co, blue; Ni, green; Fe, dark orange; hydrogen atoms were omitted for clarity. The MO labels are in ascending energy levels.

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