Magnetic order and 5d1 multipoles in a rhenate double perovskite Ba2MgReO6

Autor: S. W. Lovesey, D. D. Khalyavin
Rok vydání: 2021
Předmět:
Zdroj: Physical Review B. 103
ISSN: 2469-9969
2469-9950
DOI: 10.1103/physrevb.103.235160
Popis: Structural and magnetic transitions in a double perovskite hosting $5{d}^{1}$ Re ions are discussed in the context of recently published high-resolution x-ray diffraction patterns [D. Hirai et al., Phys. Rev. Res. 2, 022063(R) (2020)]. Our symmetry-inspired analysis of a reported structural transition below room temperature, from cubic to tetragonal symmetry, reveals order of a lone ${E}_{g}$-type charge quadrupole. A magnetic motif at lower temperature is shown to be composed of two order parameters, with propagation vectors $\mathbf{k}=(0,0,1)$ and $\mathbf{k}=(0,0,0)$, which imply a magnetic space group $Pn{n}^{\ensuremath{'}}{m}^{\ensuremath{'}}$ . A concomitant lowering of Re site symmetry adds a ${T}_{2g}$ type to permitted quadrupoles. Findings from our studies, for structural and magnetic properties of ${\mathrm{Ba}}_{2}{\mathrm{MgReO}}_{6}$, surface in predicted amplitudes for x-ray diffraction at rhenium ${L}_{2}$ and ${L}_{3}$ absorption edges, and magnetic neutron Bragg diffraction. Specifically, entanglement of anapole and spatial degrees of freedom creates a quadrupole in the neutron scattering amplitude. It would be excluded in an unexpected scenario whereby the rhenium atomic state is adequately described by a single value of the total angular momentum. Quadrupoles in x-ray and neutron diffraction amplitudes possess different angular symmetries, since the former is purely electronic and the latter purely magnetic. A chiral signature visible in resonant x-ray diffraction will be one consequence of predicted chargelike quadrupole and magnetic dipole orders. A model Re wave function consistent with all current knowledge is a guide to electronic and magnetic multipoles engaged in x-ray and neutron diffraction investigations.
Databáze: OpenAIRE