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- W4310721863 abstract "The structural properties are explored with three different atomic configurations named as α, β and γ phases in AlLiSi type structure and it is found that α phase is the most stable phase for yttrium based half Heusler alloys YXZ (X = Fe, Co, Cr; Z = As, Sb). The total energy values show that these materials are ferromagnetic. From the density of states plot, the energy gap values in the majority spin state for YFeAs, YFeSb, YCoAs, YCoSb, YCrAs and YCrSb are found to be 1.058 eV, 0.875 eV, 1.231 eV, 1.221 eV, 0.520 eV and 0.865 eV and there is no gap in the minority spin state. All these materials are found to exhibit half-metallic characteristics with 100% spin polarization which make them potential candidates for spintronic applications. The phonon calculations indicate that YFeSb and YCoSb are dynamically stable." @default.
- W4310721863 created "2022-12-16" @default.
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- W4310721863 date "2023-03-01" @default.
- W4310721863 modified "2023-09-26" @default.
- W4310721863 title "Electronic structure, magnetic and thermodynamic properties of yttrium based half Heusler alloys YXZ (X = Fe, Co, Cr; Z = As, Sb): A first principles study" @default.
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- W4310721863 doi "https://doi.org/10.1016/j.cocom.2022.e00776" @default.
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