XANES and EXAFS Studies on the Ir-O Bond Covalency in Ionic Iridium Perovskites

Choy, Jin‐Ho; Kim, Dong-Kuk; Hwang, Sung‐Ho; Demazeau, G.; Jung, Dongsoo

doi:10.1021/ja00138a010

Cited by 133 publications

(152 citation statements)

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“…2) using space group F m3m for Ba 2 YIrO 6 and Ia3 for Y 2 O 3 results in refinement parameters R p = 2.54 and R wp = 3.88. The lattice constants obtained from singlecrystal XRD and powder XRD on crushed crystals are consistent with earlier reports [22][23][24][25]. We find no signature of any structural transition of the crystals from room temperature (powder XRD) down to 198(2) K (singlecrystal XRD).…”

Section: B Xrd and Crystal Structuresupporting

confidence: 91%

“…225), similar to results as reported in Refs. [22][23][24] based on XRD measurements on polycrystalline samples. The results of the structural refinement of the single-crystal XRD measurements at 198(2) K are summarized in Table I.…”

Section: B Xrd and Crystal Structurementioning

confidence: 99%

“…The crystal structure of Ba 2 YIrO 6 has been described using a cubic symmetry (space group F m3m) [22][23][24] as well as a monoclinic symmetry (space group P 2 1 /n) with β = 90.039 o (Ref. 25).…”

mentioning

confidence: 99%

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Ba2YIrO6: A cubic double perovskite material withIr5+ions

et al. 2016

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Materials with a 5d 4 electronic configuration are generally considered to have a nonmagnetic ground state (J = 0). Interestingly, Sr2YIrO6 (Ir 5+ having 5d 4 electronic configuration) was recently reported to exhibit long-range magnetic order at low temperature and the distorted IrO6 octahedra were discussed to cause the magnetism in this material. Hence, a comparison of structurally distorted Sr2YIrO6 with cubic Ba2YIrO6 may shed light on the source of magnetism in such Ir 5+ materials with 5d 4 configuration. Besides, Ir 5+ materials having 5d 4 are also interesting in the context of recently predicted excitonic types of magnetism. Here we report a single-crystal-based analysis of the structural, magnetic, and thermodynamic properties of Ba2YIrO6. We observe that in Ba2YIrO6 for temperatures down to 0.4 K, long-range magnetic order is absent but at the same time correlated magnetic moments are present. We show that these moments are absent in fully relativistic ab initio band-structure calculations; hence, their origin is presently unclear.

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Section: B Xrd and Crystal Structuresupporting

confidence: 91%

Section: B Xrd and Crystal Structurementioning

confidence: 99%

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Ba2YIrO6: A cubic double perovskite material withIr5+ions

et al. 2016

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“…The ionicity of TaeO and NbeO bonds can be calculated using Pauling's formula: I ¼ 1 À exp [À(c a À c b )/4], where c a and c b indicate the electronegativities of the cation and anion, respectively [20]. The obtained ionicity values using Pauling's electronegativities are I TaeO ¼ 0.610 and I NbeO ¼ 0.571.…”

Section: Colorimetry Analysismentioning

confidence: 99%

The vast colour spectrum of ternary metal oxynitride pigments

et al. 2008

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“…Through the Ir LIII-edge XANES the energy splitting (t2g-eg) was evaluated versus (i) the iridium oxidation state n+ and (ii) the competing bond in the perovskite lattice [9] (Table IV). Table IV.…”

Section: Evaluation Of the Splitting Between The Eg And T2g Levels Ofmentioning

confidence: 99%

High Oxygen Pressures and the Stabilization of Unusual Oxidation States of Transition Metals: Application to Iridium Oxides.

Demazeau¹,

Jung²,

Largeteau³

1998

THE REVIEW OF HIGH PRESSURE SCIENCE AND TECHNOLOGY

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High oxygen pressures have been developed in different media : gas (500 MPa) , in liquid phase using oxidizing solutions (500 MPa) and in the solid phase through the "in situ" thermal decomposition of KC103. The main objective of the development of high oxygen pressures was the stabilization of the highest oxidation states of transition elements. For the same Mn+ cation, the increase of the n value induces a decrease of the M-O distance . Such a variation being larger than the compression effect on oxides , the stabilization of the highest oxidation states of transition metals appears a fruitful route for investigating the correlations between the covalency of the chemical M-O bonds and the resulting physico-chemical properties of the corresponding oxides.[oxygen pressures, iridium (V) oxides, perovskite-type structure, X-ray analysis , magnetic characterization, EXAFS, XANES]

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XANES and EXAFS Studies on the Ir-O Bond Covalency in Ionic Iridium Perovskites

Cited by 133 publications

References 0 publications

Ba2YIrO6: A cubic double perovskite material withIr5+ions

Ba2YIrO6: A cubic double perovskite material withIr5+ions

The vast colour spectrum of ternary metal oxynitride pigments

High Oxygen Pressures and the Stabilization of Unusual Oxidation States of Transition Metals: Application to Iridium Oxides.

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