The Electronic Structures and Magnetic Properties of Co(endi)2(N3)2
The electronic structures and magnetic properties of the compound Co(endi)2(N3)2 are studied by means of the first-principles method. According to the calculations, there is ferromagnetic interaction in the compound, and the magnetic coupling comes from the spin delocalization effect from Co2+ to the azide ligand. It is found that there is strong intralayer and weak interlayer magnetic couplings in the compound. It also reveals semi-metallically magnetic properties.
Z. L. Wang et al., "The Electronic Structures and Magnetic Properties of Co(endi)2(N3)2", Advanced Materials Research, Vols. 217-218, pp. 1652-1657, 2011