Publications in Scientific Journals:
Y. Kvashnin, S. Khmelevskyi, J. Kudrnovsky, A. Yaresko, L. Genovese, P. Bruno:
"Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A first principles study";
Physical Review B,
By means of ab initio calculations based on the density functional theory we investigated the magnetic phase
diagram of ordered FePd3 alloy as a function of external pressure. Considering several magnetic configurations
we concluded that the system under pressure has a tendency toward noncollinear spin alignment. Analysis
of the Heisenberg exchange parameters Jij revealed strong dependence of iron-iron magnetic couplings on
polarization of Pd atoms. To take into account that effect we built an extended Heisenberg model with higher
order (biquadratic) terms. Minimizing the energy of this Hamiltonian, fully parametrized using the results of
ab initio calculations, we found a candidate for a ground state of compressed FePd3, which can be seen as two
interpenetrating "triple-Q" phases.
Created from the Publication Database of the Vienna University of Technology.