Publications in Scientific Journals:

C. Ersan, S. Khmelevskyi, P. Mohn:
"Electronic structure and magnetic moment formation in Mn-Ga-As alloys";
Journal of Physics: Condensed Matter, 16 (2004), S5661 - S5667.

English abstract:
We present calculations of the electronic and magnetic structure of the cubic phases of Mn-Ga-As. We find that for high coordination numbers, as for a bcc and fcc environment, the Ga/As atoms form broad metallic-like sp bands which interact with Mn. For most of these systems antiferromagnetic structures are the most stable configurations. For AsMn in the ZnS structure we find a half metallicity both in the ferromagnetic and the [001] anti ferromagnetic modification. Calculations of Mn-GaAs supercells allow us to formulate a possible mechanism to enhance the magnetic ordering temperature. Since Tc is found to depend strongly on the number of excess electrons in the system, alloying with constituents with fewer electrons than As could help to stabilize the FM state and thus might increase the magnetic ordering temperature.

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