Investigation of binary Co2X (X = In, Si, Sb, Sn, Ga) half-Heusler alloys

Authors : Adewumi İsaac POPOOLA

Pages : 95-103

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Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :The electronic structure and mechanical properties of some cobalt-based binary half-Heusler alloys Co$_{2}$X insert ignore into journalissuearticles values(X = In, Si, Sb, Sn, Ga); have been investigated using the density functional theory approach. The site preference by cobalt and X is similar to the traditional half-Heusler structure. The results showed that Co$_{2}$Si is not a half-metal but rather an n-type degenerate semiconductor. The compounds Co$_{2}$Ga, Co$_{2}$Sb, and Co$_{2}$Sn are thermodynamically unstable and Co$_{2}$In is elastically unstable. With much care given to the lattice size, half metallicity is readily predicted in Co$_{2}$In, Co$_{2}$Ga, Co$_{2}$Sn, and Co$_{2}$Sb. All the compounds showed directional bonding and they should exhibit high strength. The trend is that the low valence main group elements are likely to form half metals more readily in a binary half-Heusler alloy than the high valence main group elements.
Keywords : Cobalt, half Heusler, spintronic, density of states, n type degenerate