Electron correlations in Co${}_2$Mn${}_{1-x}$Fe${}_x$Si Heusler compounds

Abstract

This study presents the effect of local electronic correlations on the Heusler compounds Co${}_2$Mn${}_{1-x}$Fe${}_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure calculations based on the local approximation to spin-density functional theory (LSDA). Correlation effects are treated in terms of the Dynamical Mean-Field Theory (DMFT) and the LSDA+U approach. The formalism is implemented within the Korringa-Kohn-Rostoker (KKR) Green's function method. In good agreement with the available experimental data the magnetic and spectroscopic properties of the compound are explained in terms of strong electronic correlations. In addition the correlation effects have been analysed separately with respect to their static or dynamical origin. To achieve a quantitative description of the electronic structure of Co${}_2$Mn${}_{1-x}$Fe${}_x$Si both static and dynamic correlations must be treated on equal footing.

12 pages, 5 figures

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• GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi
• Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compounds
• Structural, chemical and electronic properties of the Co2MnSi(001)/MgO interface
• First principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys
• Monitoring surface resonances on Co2MnSi(100) by spin-resolved photoelectron spectroscopy
• Perspective: Heusler interfaces -- opportunities beyond spintronics?
• Chemical disorder as engineering tool for spin-polarizationin Mn3Ga-based Heusler systems
• Ab-initio calculation of effective exchange interactions, spin waves, and Curie temperature in L2_1- and L1_2-type local moment ferromagnets
• Effects of intrinsic defects and alloying with Fe on the half-metallicity of Co${}_2$MnSi