Berlin 2015 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 11: Magnetic Heuslers, Half-Metals and Oxides (jointly with MA)
TT 11.8: Vortrag
Montag, 16. März 2015, 11:30–11:45, H 0112
Ab initio study of tetragonal Heusler alloys for magnetic applications with high anisotropies — •Heike C. Herper, Yaroslav O. Kvashnin, and Olle Eriksson — Department of Physics and Astronomy, Uppsala University, Sweden
Materials with high magnetic anisotropy (MAE) are of broad technological interest whereby typical magnets with high MAE are based on expensive materials such as Pt or Nd. Therefore, cheap and abundant replacements are demanded. Heusler alloys are of special interest because their magnetic and structural properties can be quite easily designed by composition. Here we present an ab initio study for a series of tetragonal Ni-based Heusler alloys Ni2YZ with (Y = Mn, Fe, Co) and Z varying from B to Sn. Combined VASP and RSPt investigations reveal MAE values for L21 ordered Co containing alloys which are comparable to the Mn-Ga based alloys found in literature. However, for e/a values larger than 32 they tend to inverse order which is accompanied by a significant reduction of the MAE. Even though the MAE values for alloys with Y = Fe are found to be smaller compared to the Ni2CoZ alloys, the maximum energy products are similar. In contrast to the L21 ordered Ni2CoZ systems out of plane MAE has been observed for several Ni2FeZ alloys.