Appearance of Half-Metallicity in the Quaternary Heusler Alloys

Details Appearance of Half-Metallicity in the Quaternary Heusler Alloys Appearance of Half-Metallicity in the Quaternary Heusler Alloys

2003-05-07

arxiv.org/abs/cond-mat/0305134v1

Journal of Physics: Condensed Matter 16, 3089 (2004)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures, 2 Tables

Scientific paper

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.

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