Fully filling-controlled pyrochlore ruthenates: Emergent ferromagnetic-metal state and geometrical Hall effect

Kaneko, Ryoma; Ueda, Kentaro; Sakai, Shiro; Nomura, Yusuke; Huebsch, Marie-Therese; Arita, Ryotaro; Tokura, Y.

doi:10.1103/physrevb.103.l201111

Cited by 4 publications

(14 citation statements)

References 53 publications

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“…From experimental observations, it is clear that electronic correlations play an important role in A 2 Ru 2 O 7 and R 2 Ru 2 O 7 . Particularly, the resistivity shows metallic behavior for Ca 2 Ru 2 O 7 and insulating behavior for Pr 2 Ru 2 O 7 [69,4]. This tendency can be confirmed by means of the optical conductivity, which shows a gap for Pr 2 Ru 2 O 7 and no gap for Ca 2 Ru 2 O 7 up to experimental uncertainty.…”

Section: Electronic Propertiesmentioning

confidence: 52%

“…Initially, it seemed CMP+SDFT fails to treat Er 2 Ru 2 O 7 well, and by extension we expected that R 2 Ru 2 O 7 is generally not well-described within this scheme. Motivated by the interest of Kaneko et al [69,4] in (Ca 1−x Pr x ) 2 Ru 2 O 7 , we once again faced this class of materials. To our great surprise and delight, we found good agreement of our numeric results and the available experimental data at closer inspection.…”

Section: Discussionmentioning

confidence: 99%

“…Among the discussed compounds, we pick two representative ones: Ca 2 Ru 2 O 7 and Pr 2 Ru 2 O 7 . The main motivation is given by recent works by Kaneko et al [69,4], where (Ca 1−x Pr x ) 2 Ru 2 O 7 has been investigated and the doping parameter x could be continuously tuned. Yet, let us emphasize at this point that Ca 2 Ru 2 O 7 and Cd 2 Ru 2 O 7 have demonstrated a great similarity in the SDFT-total-energy landscape discussed in the previous section.…”

Section: Electronic Propertiesmentioning

confidence: 99%

“…Yet, in addition to that, different phases can be reached by introducing hole doping x [3,4] or by applying pressure [5]. Curiously, the experimentally observed tendencies with changing conditions are sometimes counterintuitive, as described below.…”

Section: Introductionmentioning

confidence: 99%

“…A prominent example of the possible magnetic configurations is the spinice structure which is characterized by its magnetic entropy [6,7]. Regarding the electronic properties, recent advances by Kaneko et al [4] made it possible to investigate fully filling-controlled (Ca 1−x Pr x ) 2 Ru 2 O 7 , which shows a metal-to-insulator transition (MIT), where surprisingly Pr 2 Ru 2 O 7 is a Mott insulator and Ca 2 Ru 2 O 7 is a metal. This is unexpected because the valence-t 2g bands within the Ru-4d 3 manifold are half-filled for A 2 Ru 2 O 7 , which naively should observe higher electronic correlation compared to the more than half-filled Ru-4d 4 bands in R 2 Ru 2 O 7 [8].…”

Section: Introductionmentioning

confidence: 99%

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Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Huebsch,

Nomura,

Sakai

et al. 2022

Preprint

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The magnetic ground states of R 2 Ru 2 O 7 and A 2 Ru 2 O 7 with R = Pr, Gd, Ho, and Er, as well as A = Ca, Cd are predicted devising a combination of the cluster-multipole (CMP) theory and spin-density-functional theory (SDFT). The strong electronic correlation effects are estimated by the constrained-randomphase approximation (cRPA) and taken into account within the dynamical-meanfield theory (DMFT). The target compounds feature d-orbital magnetism on Ru 4+ and Ru 5+ ions for R and A, respectively, as well as f -orbital magnetism on the R site, which leads to an intriguing interplay of magnetic interactions in a strongly correlated system. We find CMP+SDFT is capable of describing the magnetic ground states in these compounds. The cRPA captures a difference in the screening strength between R 2 Ru 2 O 7 and A 2 Ru 2 O 7 compounds, which leads to a qualitative and quantitative understanding of the electronic properties within DMFT.

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Section: Electronic Propertiesmentioning

confidence: 52%

Section: Discussionmentioning

confidence: 99%

Section: Electronic Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Huebsch,

Nomura,

Sakai

et al. 2022

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Huebsch

Nomura

Sakai

et al. 2022

J. Phys.: Condens. Matter

Self Cite

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The magnetic ground states of R 2Ru2O7 and A 2Ru2O7 with R = Pr, Gd, Ho, and Er, as well as A = Ca, Cd are predicted devising a combination of the cluster-multipole (CMP) theory and spin-density-functional theory (SDFT). The strong electronic correlation effects are estimated by the constrained-random-phase approximation (cRPA) and taken into account within the dynamical-mean-field theory (DMFT). The target compounds feature d-orbital magnetism on Ru4+ and Ru5+ ions for R and A, respectively, as well as f-orbital magnetism on the R site, which leads to an intriguing interplay of magnetic interactions in a strongly correlated system. We find CMP + SDFT is capable of describing the magnetic ground states in these compounds. The cRPA captures a difference in the screening strength between R 2Ru2O7 and A 2Ru2O7 compounds, which leads to a qualitative and quantitative understanding of the electronic properties within DMFT.

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Geometrical frustration and incommensurate magnetic order in Na3RuO4 with two triangular motifs

Bader,

Ritter,

Papke

et al. 2023

Phys. Rev. B

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Incommensurate magnetic order in the spin-3/2 antiferromagnet Na 3 RuO 4 is uncovered by neutron diffraction combined with ab initio calculations. The crystal structure of Na 3 RuO 4 contains two triangular motifs on different length scales. The magnetic Ru 5+ ions form a lozenge (diamond) configuration, with tetramers composed of two isosceles triangles. These tetramers are further arranged in layers, such that an effective triangular lattice is formed. The tetramers are nearly antiferromagnetic but frustration between them leads to an incommensurately modulated magnetic structure described by the propagation vector k = (0.242(1), 0, 0.313(1)). We show that the long-range Ru-O-O-Ru couplings between the tetramers play a major role in Na 3 RuO 4 and suggest an effective description in terms of the spatially anisotropic triangular lattice if the tetramers are treated as single sites.

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Fully filling-controlled pyrochlore ruthenates: Emergent ferromagnetic-metal state and geometrical Hall effect

Cited by 4 publications

References 53 publications

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

Geometrical frustration and incommensurate magnetic order in Na3RuO4 with two triangular motifs

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