Physics – Condensed Matter – Materials Science
Scientific paper
2010-11-10
M Meinert et al 2011 J. Phys.: Condens. Matter 23 036001
Physics
Condensed Matter
Materials Science
13 pages, 6 figures
Scientific paper
10.1088/0953-8984/23/3/036001
The Heusler compounds Mn$_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of large interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic properties of these materials. Their magnetic moment follows the Slater-Pauling rule $m = N_V - 24$. None of them is actually a perfect half-metallic ferrimagnet, but some exhibit more than 90% spin polarization and Curie temperatures well above room temperature. The exchange interactions are complex, direct and indirect exchange contributions are identified. The Curie temperature scales with the total magnetic moment, and it has a positive pressure dependence. The role of the Z element is investigated: it influences the properties of the compounds mainly via its valence electron number and its atomic radius, which determines the lattice parameter. Based on these results, Mn$_2$TiSi, Mn$_2$TiGe, and Mn$_2$TiSn are proposed as candidates for spintronic applications.
Meinert Markus
Reiss Günter
Schmalhorst Jan-Michael
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