Magnetism of the MnPt3 (001) Surface: First-Principles Study

다국어 초록 (Multilingual Abstract)

Most bulk TMPt3 (TM = transition metal) samples except MnPt3 have an antiferromagnetic (AFM) ground state. In this study we discuss the electronic structures and magnetisms of the bulk MnPt3 and the bulk-terminated MnPt3 (001) surface by using the full-potential linearized augmented plane wave method. The exchange-correlation interaction is described by using a general gradient approximation. The ground state of the bulk is ferromagnetic (FM). The FM state is more stable by energy dierences of 60 and 140 meV, compared to the A-type AFM and the C-type AFM states, respectively. The magnetic structure at the bulk-terminated MnPt3 (001) surface is dierent from that of the bulk MnPt3. The band localization at the surface is one of the reasons for the magnetic transition at the surface.

참고문헌 (Reference)

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