<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi mathvariant="normal">Ba</mml:mi> <mml:mn>4</mml:mn> </mml:msub> <mml:msub> <mml:mi>SbRu</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi mathvariant="no

${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ crystallizes with a structure that consists of clusters of three face-sharing Ru-centered octahedra $({\mathrm{Ru}}_{3}{\mathrm{O}}_{12})$ connected via Sb-centered octahedra. Rietveld refinements of both x-ray and neutron powder diffraction data confirm the absence of Sb/Ru antisite mixing. Variable temperature neutron diffraction measurements reveal a phase transition on cooling below 100 K from the aristotype structure with $R\overline{3}m$ symmetry to a monoclinic structure with $\mathrm{C}2/m$ symmetry. The phase transition is driven by displacements of $\mathrm{B}{\mathrm{a}}^{2+}$ cations and, as such, only subtly perturbs the geometry of the ${\mathrm{Ru}}_{3}{\mathrm{O}}_{12}$ clusters. The Ru $4d$ orbitals overlap to form delocalized molecular orbitals that span the trioctahedral cluster. At high temperature (T \ensuremath{\ge} 200 K), the cluster adopts an $S=3/2$ intermediate spin state, but upon cooling to low temperature, susceptibility data suggest a gradual transition to an $S=1/2$ low spin state. The presence of $\mathrm{S}{\mathrm{b}}^{5+}$ ions with a [Kr] $4{d}^{10}$ electron configuration minimizes interlayer superexchange interactions between clusters, thereby maintaining the frustration of the 2D triangular network. ${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ shows no signs of magnetic ordering down to 0.3 K, yet Curie-Weiss fitting of high-temperature susceptibility suggests strong antiferromagnetic interactions $({\ensuremath{\theta}}_{\mathrm{CW}}=\ensuremath{-}378 \mathrm{K})$. The low-temperature specific heat evolves linearly with temperature, suggestive of a gapless quantum spin liquid. The combination of small magnetic quantum number, minimal chemical disorder, geometric frustration, and lack of long-range magnetic order makes ${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ an intriguing quantum spin liquid candidate that merits further study.

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Publication Details

Journal
Physical Review Materials
Published
2026-05-21
DOI
https://doi.org/10.1103/sl5f-fx9c
Primary Topic
Advanced Condensed Matter Physics
Type
article
Field-Weighted Citation Impact
0.00

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<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi mathvariant="normal">Ba</mml:mi> <mml:mn>4</mml:mn> </mml:msub> <mml:msub> <mml:mi>SbRu</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi mathvariant="no

Sara Haravifard, Rabindranath Bag, Patrick M. Woodward, Lalit Yadav et al.
Physical Review Materials
Advanced Condensed Matter Physics
article

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi mathvariant="normal">Ba</mml:mi> <mml:mn>4</mml:mn> </mml:msub> <mml:msub> <mml:mi>SbRu</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi mathvariant="no

Sara Haravifard, Rabindranath Bag, Patrick M. Woodward, Lalit Yadav, Emma A. Pollock
article en

Abstract

${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ crystallizes with a structure that consists of clusters of three face-sharing Ru-centered octahedra $({\mathrm{Ru}}_{3}{\mathrm{O}}_{12})$ connected via Sb-centered octahedra. Rietveld refinements of both x-ray and neutron powder diffraction data confirm the absence of Sb/Ru antisite mixing. Variable temperature neutron diffraction measurements reveal a phase transition on cooling below 100 K from the aristotype structure with $R\overline{3}m$ symmetry to a monoclinic structure with $\mathrm{C}2/m$ symmetry. The phase transition is driven by displacements of $\mathrm{B}{\mathrm{a}}^{2+}$ cations and, as such, only subtly perturbs the geometry of the ${\mathrm{Ru}}_{3}{\mathrm{O}}_{12}$ clusters. The Ru $4d$ orbitals overlap to form delocalized molecular orbitals that span the trioctahedral cluster. At high temperature (T \ensuremath{\ge} 200 K), the cluster adopts an $S=3/2$ intermediate spin state, but upon cooling to low temperature, susceptibility data suggest a gradual transition to an $S=1/2$ low spin state. The presence of $\mathrm{S}{\mathrm{b}}^{5+}$ ions with a [Kr] $4{d}^{10}$ electron configuration minimizes interlayer superexchange interactions between clusters, thereby maintaining the frustration of the 2D triangular network. ${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ shows no signs of magnetic ordering down to 0.3 K, yet Curie-Weiss fitting of high-temperature susceptibility suggests strong antiferromagnetic interactions $({\ensuremath{\theta}}_{\mathrm{CW}}=\ensuremath{-}378 \mathrm{K})$. The low-temperature specific heat evolves linearly with temperature, suggestive of a gapless quantum spin liquid. The combination of small magnetic quantum number, minimal chemical disorder, geometric frustration, and lack of long-range magnetic order makes ${\mathrm{Ba}}_{4}{\mathrm{SbRu}}_{3}{\mathrm{O}}_{12}$ an intriguing quantum spin liquid candidate that merits further study.

Physical Review MaterialsVol. 10(5)
Duke University (US), The Ohio State University (US)
National Science Foundation, U.S. Department of Energy, Duke University, Oak Ridge National Laboratory
Openalex Percentile: Top 6%
Advanced Condensed Matter Physics
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