Influence of mixing the low-valent transition metal atoms (Y,Y*=Cr,Mn,Fe) on the properties of the quaternary Co2[Y1-xY*x]Z (Z=Al,Ga,Si,Ge,Sn) Heusler compounds
Abstract
We complement our study on the doping and disorder in Co2MnZ compounds [I. Galanakis et al., Appl. Phys. Lett. 89, 042502 (2006) and K. \"Ozdo\~gan et al., Phys. Rev. B 74, (2006)] to cover also the quaterarny Co2[Y1-xY*x]Z compounds with the lower-valent transition metals Y,Y* being Cr, Mn or Fe and the sp atom Z being one of Al, Ga, Si, Ge, Sn. This study gives a global overview of the magnetic and electronic properties of these compounds since we vary both Y and Z elements. Our results suggest that for realistic applications the most appropriate compounds are the ones belonging to the families Co2[Mn1-xCrx]Z with x>0.5 irrespectively of the nature of the sp atoms since they combine high values of majority DOS at the Fermi level due to the presence of Cr, and half-metallicity with large band-gaps. On the other hand the presence of Fe lowers considerably the majority density of states at the Fermi level and when combined with an element belonging to the Si-column, it even can destroy half-metallicity.
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