Appearance of Half-Metallicity in the Quaternary Heusler Alloys

Abstract

I report systematic first-principle calculations of the quaternary Heusler alloys like Co${}_2$[Cr${}_{1-x}$Mn${}_x$]Al, Co${}_2$Mn[Al${}_{1-x}$Sn${}_x$] and [Fe${}_{1-x}$Co${}_x$]${}_2$MnAl. I show that when the two limiting cases (x=0 or 1) correspond to a half-metallic compound, so do the intermediate cases. Moreover the total spin moment $M_t$ in ${\mu }_B$ scales linearly with the total number of valence electrons $Z_t$ (and thus with the concentration $x$) following the relation $M_t=Z_t-24$, independently of the origin of the extra valence electrons, confirming the Slater-Pauling behavior of the normal Heusler alloys. Finally I discuss in all cases the trends in the atomic projected DOSs and in the atomic spin moments.

4 pages, 3 figures, 2 Tables

References in corpus (2)

• Towards New Half-Metallic Systems: Zinc-Blende Compounds of Transition Elements with N, P, As, Sb, S, Se, and Te
• Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides

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