Proceedings of the National Academy of Sciences · 2021 · 318 citations · 33 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMagnetic MaterialsSolid State PhysicsAntiferromagnetic MaterialsAntiferromagnetismFerromagnetic MaterialsFerromagnetismMagnetic Properties Of SolidsMagnetism In SolidsAlloyingAlloying EffectsCollinear AntiferromagnetismInversion SymmetryMagnetic SemiconductorsSpin-orbit SplittingTime Reversal SymmetryTime-reversal Symmetry Breaking
, and predict that with certain alloying, it becomes magnetic and metallic and features the aforementioned magnetic dualism. The calculated energy bands split antisymmetrically with respect to spin-degenerate nodal surfaces rather than nodal points, as in the case of spin-orbit splitting. The combination of a large (0.2-eV) spin splitting, compensated net magnetization with metallic ground state, and a specific magnetic easy axis generates a large anomalous Hall conductivity (∼150 S/cm) and a sizable magnetooptical Kerr effect, all deemed to be hallmarks of nonzero net magnetization. We identify a large contribution to the anomalous response originating from the spin-orbit interaction gapped anti-Kramers nodal surfaces, a mechanism distinct from the nodal lines and Weyl points in ferromagnets.
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Generalized Gradient Approximation Made Simple
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