First-principle studies of the tendency towards segregation in Heusler alloys Ni-=SUB=-2-=/SUB=-Mn-=SUB=-1+x-=/SUB=-Sb-=SUB=-1-x-=/SUB=- with different atomic ordering

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چکیده

Using ab initio calculations, the stability issues of a series Heusler alloys Ni 2 Mn 1+x Sb 1-x (x=0, 0.25, 0.5, 0.75, 1) with staggered and layer-by-layer ordering atoms are investigated. It is shown that compositions an excess stable respect to decomposition into constituent elements unstable two-phase system consisting ferromagnetic cubic L2 1 -phase MnSb antiferromagnetic tetragonal L1 0 NiMn. Thus, all nonstoichiometric in austenite martensitic phases, taking account different magnetic atomic ordering, tend segregate. Stability possible only stoichiometric (x=0 1). Keywords: alloys, segregation, phase stability.

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ژورنال

عنوان ژورنال: Fizika tverdogo tela

سال: 2022

ISSN: ['0367-3294', '1726-7498']

DOI: https://doi.org/10.21883/pss.2022.13.53976.11s