hide
Free keywords:
-
Abstract:
This work reports electronic structure calculations for the Heusler
compound Co2FeAl1-xSix. Particular emphasis was put on the role of the
main group element in this compound. The substitution of Al by Si leads
to an increase in the number of valence electrons with increasing Si
content and may be seen as electron-doping. Self-consistent electronic
structure calculations were performed to investigate the consequences of
the electron-doping on the magnetic properties. The series Co2FeAl1-xSix
is found to exhibit half-metallic ferromagnetism and the magnetic moment
follows the Slater - Pauling rule. It is shown that the electron-doping
stabilizes the gap in the minority states for x = 0.5.
