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Spin structure of antiferromagnetic CoO. The sign (±) indicates the spin direction (↑ and ↓) and the easy magnetization axis is along the cube edges.
Point-charge model of crystal-field interaction and magnetic anisotropy: (a) prolate orbital and (b) oblate orbital . The case (b) is energetically more favorable, because neighboring atoms typically carry an negative charge (Ref. 10) and repulsively interact with the or electrons in the partially filled inner shells. This mechanism yields, for example, the huge magnetocrystalline anisotropy of rare-earth permanent magnets (Refs. 6 and 8)
Approximate band structure for Co minority spins in the (111) Co planes.
Interatomic hybridization and crystal field: (a) overlap, (b) overlap, and (c) and (d) two spin configurations derived from (a) and (b). Note that hopping integrals are much larger than hopping integrals, and compared to Fig. 2, the case (a) has now the lower energy, because it amounts to bonding orbital.
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