Exploring the electronic, magnetic, and elastic properties of binary AB2 (A = Sc, Y, and La; B = Fe, Co, and Ni) intermetallics: First-principles study

Sundas Ara,Ahmad Ali,Banat Gul,Gulzar Khan,Zahid Ali,Mohamed Ouladsmane,Muhammad Salman Khan,Faheem Abbas,Syed Zulfiqar,Shaukat Ali Khattak,Tahirzeb Khan

Materials Science and Engineering: B（2023）

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摘要

•The projected lattice constants decline in rows and rise with column sequences.•The metallic character of these compounds is confirmed.•Electrical resistivity curves reveal that ScFe2 is an excellent conductor.•The elastic characteristics demonstrate that these compounds are mechanically stable, and ductile.•All of these intermetallics are anisotropic in nature.

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关键词

binary ab2,intermetallics,elastic properties,magnetic,first-principles

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