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Abstract:
This study presents the effect of local electronic correlations on the
Heusler compounds Co2Mn1-xFex 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 and the LSDA + U approach.
The formalism is implemented within the Korringa-Kohn-Rostoker 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 Co2Mn1-xFex Si Si both static and dynamic correlations must
be treated on an equal footing.
