Publications in Scientific Journals:

S. Khmelevskyi:
"Antiferromagnetic ordering on the frustrated fcc lattice in the intermetallic compound GdPtBi";
Physical Review B, 86 (2012), 1044291 - 1044295.

English abstract:
The type of antiferromagnetic magnetic order in the half-Heusler intermetallic compound GdPtBi, where the
Gd atoms form a magnetically frustrated fcc lattice, has been investigated using exchange constants calculated
from first principles within the framework of the GreenŽs function based magnetic force theorem. It is found that
the degeneracy of the magnetic states on the fcc lattice with antiferromagnetic nearest neighbor interaction is
removed by strong fourth-nearest neighbor interaction along the cube diagonal.We showthat an antiferromagnetic
ordering of so-called "third kind" occurs at low temperatures. The Monte Carlo simulations using our derived
exchange constants predict an experimentalNŽeel temperature (TN )with good accuracy. The estimated temperature
dependence of the correlation functions in the paramagnetic region exhibit a typical behavior for a frustrated
system-a massive short-range order is retained for temperatures which are one order of magnitude higher
than TN.

Created from the Publication Database of the Vienna University of Technology.