Berlin 2005 – wissenschaftliches Programm
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MA: Magnetismus
MA 20: Poster:Schichten(1-29),Spintrsp(30-45),Ex-Bias(46-63),Spindyn(64-75),Mikromat.(76-80),Cluster(81-94),Abbv.(95-99),Obflm(100-02),SpElek.(103-09),E-Theo(110-14),Mikromag.(115-16),Spin+PÜ(117-26),Mag.Mat.(127-51),Meth.(152-55),Mol.Mag(156-59),Kondo(160-65
MA 20.139: Poster
Montag, 7. März 2005, 14:00–18:00, Poster TU C
Calculated electronic structure of X2YZ Heusler compounds — •Hem C. Kandpal, Gerhard H. Fecher, Claudia Felser, and Gerd Schönhense — Johannes Gutenberg - Universität, 55099 Mainz, Germany
We present calculations on a series of X2YZ full Heusler compounds which show the phenomenon of half metallic ferromagnetism. The crystal structures have been obtained for some of the compounds through structural relaxation in the first principles framework determining the minimum total energy as function of the lattice parameter. We find that mostly Co based Heusler compounds are exhibiting half-metallic behavior. We also analyze the influence of the lattice parameter on the minority band gap. We find that smaller lattice parameter result in larger minority band gaps. The width of the gap is seemingly a linear function of the lattice constant. X=Co based Heusler compounds exhibit high Curie temperature with a linear dependence on the number of valence electrons. Our results show that Co based Heusler compounds obey the Slater-Pauling rule, while most of the others do not. There are slight changes in the magnetic moment of the Co atoms, while the magnetic moment of Y increases with the number of valence electrons. The peculiarities of the electronic structure suggest that the Co based Heusler compounds are the best candidates for potential spintronics applications.
(This work is funded by the DFG in FG 559.)