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Zeitschriftenartikel:

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



Kurzfassung englisch:
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 Green´s 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 experimentalN´eel 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.

Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.