Physics – Condensed Matter – Materials Science
Scientific paper
2006-12-10
J. Phys. D: Appl. Phys. 40 No 6 (21 March 2007) 1582-1586
Physics
Condensed Matter
Materials Science
J. Phys. D (accepted)
Scientific paper
10.1088/0022-3727/40/6/S12
This work reports about electronic structure calculations for the Heusler compound Co$_2$FeAl$_{1-x}$Si$_x$. 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 of 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 for the magnetic properties. The series Co$_2$FeAl$_{1-x}$Si$_x$ is found to exhibit half-metallic ferromagnetism and the magnetic moment follows the Slater-Pauling rule. It is shown that the electron-doping stabilises the gap in the minority states for $x=0.5$.
Fecher Gerhard H.
Felser* Claudia
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