Unambiguous determination of the commensurate antiferromagnetic structure of HoNi2B2C in the superconducting ground state

2019 
Crystal and magnetic structures of the intermetallic ${\mathrm{HoNi}}_{2}{\mathrm{B}}_{2}\mathrm{C}$ have been investigated using different single-crystal diffraction techniques at both room and low temperatures (superconducting phase). Combined refinement of the neutron and x-ray diffraction data performed at room temperature shows that the crystal structure of ${\mathrm{HoNi}}_{2}{\mathrm{B}}_{2}\mathrm{C}$ is well described in the tetragonal space group $I4/mmm$, in agreement with the literature. The magnetic ordering at low temperatures is accompanied by a structural phase transition to the orthorhombic space group $Fmmm$. However, only noncharacteristic orbits are occupied in this space group, and the symmetry reduction is entirely due to a lifting of the symmetry-induced restrictions on the anisotropic displacement parameters. Based on magnetic symmetry analysis, two types of commensurate antiferromagnetic structures with different magnetic space groups (MSGs) are found below ${T}_{\mathrm{N}}\ensuremath{\approx}5.2$ K: MSG ${P}_{I}nnm$ (Ho spins are along the [100] direction of the parent structure) and MSG ${C}_{A}mca$ (Ho spins are along [110] of the parent structure). Both models agree well with conventional unpolarized neutron diffraction data at low temperature (2.4 K) with ordered magnetic moments of 9.16(9) ${\ensuremath{\mu}}_{\mathrm{B}}$/${\mathrm{Ho}}^{3+}$ atom. Spherical neutron polarimetry, on the other hand, allowed us to unambiguously solve the magnetic structure (MSG ${C}_{A}mca$) as well as to determine the population of two types of ${90}^{\ensuremath{\circ}}$ antiferromagnetic domains (0.45/0.55).
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