Characterization of Nuclear and Magnetic Structures of Wolframite-Type MgReO4 and ZnReO4

Ugne Miniotaite; Ola K. Forslund; Elisabetta Nocerino; Yuqing Ge; Frank Elson; Michael Sannemo; Hiroya Sakurai; Jun Sugiyama; Hubertus Leutkens; Toru Ishigaki; Takafumi Hawai; Rasmus Palm; Chennan Wang; Yasmine Sassa; David W. Tam; Martin Månsson

arXiv · 2503.18694

Characterization of Nuclear and Magnetic Structures of Wolframite-Type MgReO4 and ZnReO4

Ugne Miniotaite·Ola K. Forslund·Elisabetta Nocerino·Yuqing Ge·Frank Elson·Michael Sannemo·Hiroya Sakurai·Jun Sugiyama·Hubertus Leutkens·Toru Ishigaki·Takafumi Hawai·Rasmus Palm·Chennan Wang·Yasmine Sassa·David W. Tam·Martin Månsson

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Abstract

We utilized high-pressure methods to synthesize the oxides AReO$4$ (A=Zn, Mg) and characterized their crystal structures as monoclinic wolframite-type. By combining muon spin spectroscopy ($\mu^+$SR) with DFT calculations for muon stopping sites, we identify two possible magnetic spin structures for both compounds: $\Gamma_3$ with the propagation vector $\mathbf{k} = (0,1/2,0)$ and $\Gamma_4$ with $\mathbf{k} = (0,0,0)$. In both cases, the magnetic moments are canted from the principal axes within the $ac$-plane. The ordered moment of the proposed structures is $\mathbf{0.29(5)~\mu\mathrm{B}}$ for $\Gamma_3$ and $\mathbf{0.25(8)~\mu_\mathrm{B}}$ for $\Gamma_4$. The low moment is consistent with the absence of a magnetic contribution to the neutron powder diffraction (NPD) spectra. Bond valence sum (BVS) analysis supports the oxidation state of Re being Re$^{6+}$ in the compounds, and we suggest that a combination of $t_\mathrm{2g}$ orbital splitting due to spin-orbit coupling (SOC) and $d$-$p$ orbital hybridization is responsible for the strongly suppressed ordered magnetic moment.

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Ugne Miniotaite, Ola K. Forslund, Elisabetta Nocerino, Yuqing Ge, Frank Elson, Michael Sannemo, Hiroya Sakurai, Jun Sugiyama, Hubertus Leutkens, Toru Ishigaki, Takafumi Hawai, Rasmus Palm, Chennan Wang, Yasmine Sassa, David W. Tam, Martin Månsson. 2025-03-24. Characterization of Nuclear and Magnetic Structures of Wolframite-Type MgReO4 and ZnReO4. https://arxiv.org/abs/2503.18694

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