Rare-earth impurities in Co$_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures

Details Rare-earth impurities in Co$_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures Rare-earth impurities in Co$_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures

2010-01-04

arxiv.org/abs/1001.0480v1

Phys. Rev. B 80, 214422 (2009) [7 pages]

Physics

Condensed Matter

Materials Science

22 pages, 8 figures. published in PRB

Scientific paper

10.1103/PhysRevB.80.214422

We analyse the effects of doping Holmium impurities into the full-Heusler ferromagnetic alloy Co$_2$MnSi. Experimental results, as well as theoretical calculations within Density Functional Theory in the "Local Density Approximation plus Hubbard U" framework show that the holmium moment is aligned antiparallely to that of the transition metal atoms. According to the electronic structure calculations, substituting Ho on Co sites introduces a finite density of states in the minority spin gap, while substitution on the Mn sites preserves the half-metallic character.

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