Research Papers in Physics and Astronomy


Date of this Version



Physical Review Materials 2, 044407 (2018), pp. 1-6.

doi: 10.1103/PhysRevMaterials.2.044407


Copyright © 2018 American Physical Society. Used by permission.


Antiferromagnetic MnPt exhibits a spin reorientation transition (SRT) as a function of temperature, and off-stoichiometric Mn-Pt alloys also display SRTs as a function of concentration. The magnetocrystalline anisotropy in these alloys is studied using first-principles calculations based on the coherent potential approximation and the disordered local moment method. The anisotropy is fairly small and sensitive to the variations in composition and temperature due to the cancellation of large contributions from different parts of the Brillouin zone. Concentration and temperature-driven SRTs are found in reasonable agreement with experimental data. Contributions from specific band-structure features are identified and used to explain the origin of the SRTs.

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