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High resolution and high intensity neutron powder diffraction is used to study the ground state magnetic order and the spin reorientation transition in the orthoferrite DyFeO

High resolution and high intensity neutron powder diffraction is used to study the ground state magnetic order and the spin reorientation transition in the orthoferrite DyFeO3. The transition from the high temperature k = 0 Γ4 (G x A y F z ) to the low temperature Γ1 (A x G y C z ) type order of the Fe-sublattice is found at T SR = 73 K and does not show any thermal hysteresis. Below T N2 = 4 K the Dy-sublattice orders in an incommensurate magnetic structure with k = [0, 0, 0.028] while the Fe-sublattice keeps its commensurate Γ1 type order. DyFeO3 is the first orthoferrite RFeO3 to possess an incommensurate magnetic order of the rare earth sublattice under zero field conditions; an important piece of information neglected in the recent discussion of its multiferroic properties.

It is currently known that three hydrides – PdHx, MoHx, and TiHx – exhibit an inverse isotope effect in superconductivity. Namely, the phase with a heavier hydrogen isotope, deuterium, has a higher critical temperature. Hydrides and deuterides of palladium have intensively been studied both experimentally and theoretically, but the origin of the isotope effect has not been established with certainty. The commonly accepted explanation is that the effect is likely to be due to the strong anharmonicity of the optical hydrogen vibrations, which was considered to be responsible for the large deviation of the ratio of the fundamental optical frequencies ωH/ωD = 1.51 from the harmonic value 2 ≈ 1.41. In the present paper, powder samples of MoH1.1(1) and MoD1.07(3) were synthesized under a hydrogen / deuterium pressure of several gigapascals and studied by inelastic neutron scattering (INS) at ambient pressure and T = 10 K. The INS study demonstrated that optical vibrations of H atoms in MoH1.1 and D atoms in MoD1.07 are harmonic and the ratio of fundamental optical frequencies ωH/ωD = 1.44 is close to the harmonic value 2 ≈ 1.41. This shows that anharmonicity is not a necessary condition for the presence of the inverse isotope effect. The MoD1.07 sample was additionally studied by neutron diffraction (ND) at ambient pressure and T = 100 K. In agreement with previous ND results for MoH1.2, the ND study of MoD1.07 showed that deuterium atoms occupied almost all octahedral interstitial sites in its hexagonal close-packed metal lattice and formed a NiAs-type crystal structure with the composition close to MoD. The overstoichiometric composition MoD1.07 of the deuteride is likely to result from a small fraction D/Mo ~ 0.07 of deuterium atoms partially occupying the tetrahedral interstices.