d⁰-d half-Heusler alloys: A class of future spintronic materials

2017/01/29 by S. Davatolhagh, Davatolhagh, S., A. Dehghan +1
Materials Science · #FOS: Physical sciences #Heusler alloys: electronic and magnetic properties #Materials Science (cond-mat.mtrl-sci)

paper · pdf · doi:10.48550/arxiv.1701.08397

openalex publication_date 2017/01/29 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

It is shown by rigorous ab initio calculations that half-Heusler alloys of transition metals and d⁰ metals, defined by the valence electronic configuration ns^1,2,(n-1)d⁰, can produce all kinds of half-metallic behavior including the elusive Dirac half-semimetallicity that is reported for the first time in the real 3D material CoKSb. Together with the predicted magnetic and chemical stability, this paves the way for massless and dissipationless spintronics of the future. Furthermore, the introduction of d⁰ atoms is shown to stabilize the otherwise instable chemical structure of zinc-blende transition metal pnictides and chalcogeneides without altering the p-d exchange that is mainly responsible for their half-metallicity, therefore, making their application in spintronic devices feasible.

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