Effect of doping on SGS and weak half-metallic properties of inverse Heusler Alloys

Abstract

Heusler alloys with Mn and Co have been found to exhibit interesting electronic and magnetic properties. Mn${}_2$CoAl is well known SGS compound while Mn${}_2$CoGa has weak half metallic character. By using plane wave pseudo-potential method, we studied the effect of Fe and Cr doping on half-metalicity and magnetism of these compounds. The doping destroys the SGS nature of Mn${}_2$CoAl while the small-scale doping enhance the half-metallicity of Mn${}_2$CoGa making it perfect half-metal. In case of Mn${}_2$CoAl, the doping decrease the band gap while increase in band width is noticed for Mn${}_2$CoGa. The half-metallicity is destroyed in both cases when the doping level is beyond certain degree. Moreover, we have also computed magnetic behavior of Mn${}_2$CoZ alloys and we found that total magnetic moments of dopped samples have higher values than that of pristine compounds.

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Cited by in corpus (3)

• Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study
• Ab initio study of the half-metallic full-Heusler compounds Co${}_2$ZAl [Z = Sc, Ti, V, Cr, Mn, Fe]; the role of electronic correlations
• Unusual kinetic properties of usual Heusler alloys