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PreprintCC BY 4.0arXiv

Spin--orbit-enhanced correlation sensitivity and anomalous magnetic response in non-dimerized 4d4 ilmenite CdRuO3

  • Yuya Haraguchi
  • Hayato Yatsuzuka
  • Hiroko Aruga Katori
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Abstract

We report the synthesis and physical properties of CdRuO3, a nominal Ru4+ 4d4 ilmenite with edge-sharing RuO6 honeycomb layers. Powder X-ray diffraction establishes a crystallographically non-dimerized R3̅ structure with equivalent Ru-Ru bonds and a strongly distorted RuO6 environment. The compacted-pellet resistivity is nonmetallic but non-Arrhenius, while the heat capacity contains a finite residual linear term. Matched nonmagnetic calculations show that PBE+U without spin-orbit coupling remains metallic or semimetallic up to Ueff = 3 eV, whereas PBE+SOC+U exhibits a strong Ueff dependence and opens a direct gap of approximately 55 meV at Γ for Ueff = 2.5 eV. Spin-orbit coupling therefore markedly enhances the correlation sensitivity of the non-cubic Ru t2g manifold. After subtraction of a dilute Curie-Weiss defect contribution, the susceptibility remains weakly nonmonotonic and is inconsistent with both an ordinary Pauli response and independent spin-only S = 1 moments. CdRuO3 thus realizes the non-dimerized structural branch predicted for ruthenium ilmenites, but not a simple robust multiorbital metal.

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Cite

BibTeXRIS
BibTeX
@misc{haraguchi2026spinorbitenhanced,
  title = {{Spin--orbit-enhanced correlation sensitivity and anomalous magnetic response in non-dimerized $4d^4$ ilmenite CdRuO$_3$}},
  author = {Yuya Haraguchi and Hayato Yatsuzuka and Hiroko Aruga Katori},
  howpublished = {arXiv},
  year = {2026},
  month = sep,
  doi = {10.48550/arxiv.2609.06902},
  eprint = {2609.06902},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2609.06902},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Spin--orbit-enhanced correlation sensitivity and anomalous magnetic response in non-dimerized 4d^4 ilmenite CdRuO_3
AU  - Yuya Haraguchi
AU  - Hayato Yatsuzuka
AU  - Hiroko Aruga Katori
PY  - 2026
DA  - 2026/09/07
PB  - arXiv
DO  - 10.48550/arxiv.2609.06902
UR  - https://arxiv.org/abs/2609.06902
AB  - We report the synthesis and physical properties of CdRuO_3, a nominal Ru^4+ 4d^4 ilmenite with edge-sharing RuO_6 honeycomb layers. Powder X-ray diffraction establishes a crystallographically non-dimerized R3̅ structure with equivalent Ru-Ru bonds and a strongly distorted RuO_6 environment. The compacted-pellet resistivity is nonmetallic but non-Arrhenius, while the heat capacity contains a finite residual linear term. Matched nonmagnetic calculations show that PBE+U without spin-orbit coupling remains metallic or semimetallic up to U_eff = 3 eV, whereas PBE+SOC+U exhibits a strong U_eff dependence and opens a direct gap of approximately 55 meV at Γ for U_eff = 2.5 eV. Spin-orbit coupling therefore markedly enhances the correlation sensitivity of the non-cubic Ru t_2g manifold. After subtraction of a dilute Curie-Weiss defect contribution, the susceptibility remains weakly nonmonotonic and is inconsistent with both an ordinary Pauli response and independent spin-only S = 1 moments. CdRuO_3 thus realizes the non-dimerized structural branch predicted for ruthenium ilmenites, but not a simple robust multiorbital metal.
ER  -