Atomic Composition and Electronic Structure of Hausler Alloys $Me$MnSb ($Me$ = Ni, Pd, Pt)

V. N. Uvarov, N. V. Uvarov, M. V. Nemoshkalenko

G. V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Blvd., UA-03142 Kyiv, Ukraine

Received: 25.07.2019. Download: PDF

Using zone calculations in the FLAPW (the full-potential linearized augmented plane waves) model information on the energy, charge and spin characteristics of $Me$MnSb ($Me$ = Ni, Pd, Pt) alloys is obtained. As established, the cohesive energies increase in the sequence of alloys PdMnSb $\to$ NiMnSb $\to$ PtMnSb due to the growth of atoms’ interactions covalency, and the alloys are ferromagnetically ordered with increased localization of the magnetic moments on the manganese atoms. As found, the main contribution to the formation of magnetic moments of alloys is made by 3$d$ electrons of manganese atoms with a dominant role of $t_{2g}$ electrons and less contribution of $e_g$-orbitals. The contributions of $s$- and $p$-electrons of manganese and electrons of other atoms to the formation of magnetic moments of alloys are small.

Key words: band structure calculations, Hausler alloys, band structure, magnetic moments, polarized band-structure state, spintronics.



PACS: 71.15.Mb, 71.30.+h, 75.76.+j

Citation: V. N. Uvarov, N. V. Uvarov, and M. V. Nemoshkalenko, Atomic Composition and Electronic Structure of Hausler Alloys $Me$MnSb ($Me$ = Ni, Pd, Pt), Metallofiz. Noveishie Tekhnol., 41, No. 11: 1409—1419 (2019) (in Russian)

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