Publications in Scientific Journals:
S. Khmelevskyi, A.B. Shick, P. Mohn:
"Element-specific analysis of the magnetic anisotropy in Mn-based antiferromagnetic alloys from first principles";
Physical Review B,
The magnetic anisotropy energy (MAE) and element-specific contributions to the MAE have been studied for
Mn-based antiferromagnetic alloys with layered L10 structure within the framework of the local spin-density
approximation and the fully relativistic torque method. It is found that the contribution to the total MAE from
nonmagnetic 3d and 4d elements in MnNi and MnPd alloys are comparable to the contribution of the magnetic
Mn atoms. In the 3d-5d MnIr and the 4d-5d MnRh alloys the Ir and Rh contributions are found to be dominating.
The origin of this nonzero contribution into the MAE from the atom with zero spin moment is linked to the
nontrivial atomic spin density distribution, which gives a zero moment only on average.We also find and discuss
the strong dependence of the total and element-specific contributions to the MAE on the state of magnetic order.
Created from the Publication Database of the Vienna University of Technology.