Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds

Meinert M, Schmalhorst J-M, Reiss G (2011)
Journal of Physics Condensed Matter 23(3): 036001.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
Abstract / Bemerkung
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.
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Journal of Physics Condensed Matter
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23
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3
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036001
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Meinert M, Schmalhorst J-M, Reiss G. Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds. Journal of Physics Condensed Matter. 2011;23(3):036001.
Meinert, M., Schmalhorst, J. - M., & Reiss, G. (2011). Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds. Journal of Physics Condensed Matter, 23(3), 036001. doi:10.1088/0953-8984/23/3/036001
Meinert, M., Schmalhorst, J. - M., and Reiss, G. (2011). Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds. Journal of Physics Condensed Matter 23, 036001.
Meinert, M., Schmalhorst, J.-M., & Reiss, G., 2011. Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds. Journal of Physics Condensed Matter, 23(3), p 036001.
M. Meinert, J.-M. Schmalhorst, and G. Reiss, “Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds”, Journal of Physics Condensed Matter, vol. 23, 2011, pp. 036001.
Meinert, M., Schmalhorst, J.-M., Reiss, G.: Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds. Journal of Physics Condensed Matter. 23, 036001 (2011).
Meinert, Markus, Schmalhorst, Jan-Michael, and Reiss, Günter. “Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn(2)TiZ Heusler compounds”. Journal of Physics Condensed Matter 23.3 (2011): 036001.

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Exchange interactions and Curie temperatures of Mn2CoZ compounds.
Meinert M, Schmalhorst JM, Reiss G., J Phys Condens Matter 23(11), 2011
PMID: 21368360

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