Y. Kvashnin, S. Khmelevskyi, J. Kudrnovsky, A. Yaresko, L. Genovese, P. Bruno:

"Noncollinear magnetic ordering in compressed FePd";_{3}ordered alloy: A first principles study

Physical Review B,86(2012), 1744291 - 1744298.

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.

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