Regensburg 2013 – wissenschaftliches Programm
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DF: Fachverband Dielektrische Festkörper
DF 12: Poster 1
DF 12.50: Poster
Dienstag, 12. März 2013, 10:30–13:30, Poster D
Theoretical study of the mechanical stability and magnetic properties of Mn2-based Heusler compounds with heavy transition metals — •L. Wollmann1,2, G. H. Fecher1, and C. Felser1 — 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Straße 40, 01187 Dresden, Germany — 2Johannes Gutenberg University, Staudingerweg 9, 55128 Mainz, Germany
We have investigated by ab-initio calculations the class of Mn2YZ Heusler compounds (with Y = Rh, Ru and Z = Ga, In, Tl, Ge, Sn, Pb) in order to explore their potential for applications in the field of spintronics. The calculations have been performed using the FPLAPW+(lo)-method as implemented in Wien2k. By applying uniaxial strain in the linear region in three directions it was possible to evaluate the mechanical stability. Proving that they do not adapt the cubic Heusler structure by evaluating the elastic properties, we report to have found promising candidates for new Heusler phases (tetragonal or lower symmetry) formed by the mentioned compositions. The mechanical properties, as well as the electronic and magnetic structure of tetragonal and cubic compounds will be discussed.