Effect of Atomic Substitutions on the Electronic Structure of Pt$_{1-x}$Ni$_{x}$MnSb Alloys ($x$ = 0.0–1.0)
V. M. Uvarov, M. V. Uvarov
Институт металлофизики им. Г. В. Курдюмова НАН Украины, бульв. Академика Вернадского, 36, 03142 Киев, Украина
Получена: 08.12.2021. Скачать: PDF
Using zone calculations in the FLAPW (the full-potential linearized augmented-plane-waves) model, information on the energy, charge and spin characteristics of Pt$_{1-x}$Ni$_{x}$MnSb alloys ($x$ = 0.0–1.0) is obtained. As established, with an increase in the concentration of nickel atoms in Pt$_{1-x}$Ni$_{x}$MnSb alloys, the interatomic space density of electrons decreases, covalent bonds weaken, and the cohesive energies of the alloys decrease. The dominant contributions to the formation of magnetic moments in Pt$_{1-x}$Ni$_{x}$MnSb alloys are provided by 3d electrons of manganese atoms. In alloys with $x \geq$ 0.50, a complete polarization of Fermi electrons is registered that converts these alloys to a half-metallic state.
Ключевые слова: band-structure calculations, Heusler alloys, band structure, magnetic mo-ments, polarized band-structure state, spintronics.
URL: https://mfint.imp.kiev.ua/ru/abstract/v44/i04/0431.html
PACS: 62.20.-x, 63.20.dk, 71.15.-m, 71.15.Mb, 71.20.Nr, 71.27.+a