Diluted paramagnetic impurities in nonmagnetic 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">Ba</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">YIrO</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:math>

Hammerath, Franziska; Sarkar, Rajib; Kamusella, S.; Baines, C.; Klauss, H.-H.; Dey, Tusharkanti; Maljuk, A.; Gaß, S.; Wolter, A. U. B.; Grafe, H.-J.; Wurmehl, S.; Büchner, B.

doi:10.1103/physrevb.96.165108

Cited by 29 publications

(29 citation statements)

References 44 publications

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“…Note: During the preparation of this manuscript, we became aware of the paper by Hammerath et al 32 which also points to the extrinsic origin of the observed magnetism in Ba 2 YIrO 6 . The matrices appearing in equation (6) for H xy are given explicitly here.…”

Section: Discussionmentioning

confidence: 99%

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

et al. 2017

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We systematically investigate the magnetic properties and local structure of Ba2YIrO6 to demonstrate that Y and Ir lattice defects in the form of antiphase boundary or clusters of antisite disorder affect the magnetism observed in this d 4 compound. We compare the magnetic properties and atomic imaging of (1) a slow cooled crystal, (2) a crystal quenched from 900• C after growth, and (3) a crystal grown using a faster cooling rate than the slow cooled one. Atomic imaging by scanning transmission electron microscopy (STEM) shows that quenching from 900• C introduces antiphase boundary to the crystals, and a faster cooling rate during crystal growth leads to clusters of Y and Ir antisite disorder. STEM study suggests the antiphase boundary region is Ir-rich with a composition of Ba2(Y1−xIrx)IrO6. The magnetic measurements show that Ba2YIrO6 crystals with clusters of antisite defects have a larger effective moment and a larger saturation moment than the slow-cooled crystals. Quenched crystals with Ir-rich antiphase boundary shows a slightly suppressed saturation moment than the slow cooled crystals, and this seems to suggest that antiphase boundary is detrimental to the moment formation. Our DFT calculations suggest magnetic condensation is unlikely as the energy to be gained from superexchange is small compared to the spin-orbit gap. However, once Y is replaced by Ir in the antisite disordered region, the picture of local non-magnetic singlets breaks down and magnetism can be induced. This is because of (a) enhanced interactions due to increased overlap of orbitals between sites, and, (b) increased number of orbitals mediating the interactions. Our work highlights the importance of lattice defects in understanding the experimentally observed magnetism in Ba2YIrO6 and other J = 0 systems.

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Section: Discussionmentioning

confidence: 99%

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

et al. 2017

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“…Theoretical explanations for the breakdown of the J =0 magnetic state suffer from similar discrepancies; mechanisms discussed are for example, band structure effects, effects of local symmetry, or excitonic singlet‐triplet excitations . Finally, low levels of spurious unpaired spins and particular lattice perturbations were regarded relevant . For such extrinsic contributions caused by the presence of local electronic defects, for example, in the form of Ir 4+ or Ir 6+ , experimental evidence has been provided, however, on samples prepared by solid‐state synthesis, where it is difficult to avoid minute amounts of by‐phases…”

Section: Figurementioning

confidence: 99%

“…Nevertheless, the experimentally evidenced signatures of Ir 5+ have converged remarkably. Earlier findings supporting particular magnetic ground states dominated by long‐range order,, as well as reports on strong paramagnetic responses, have been discarded –. Clearly extrinsic effects resulting from the mode of preparation and storage are relevant, and it is hard to prove absence of small amounts of paramagnetic defects.…”

Section: Figurementioning

confidence: 99%

On J_eff=0 Ground State Iridates(V): Tracking Residual Paramagnetism in New Bi₂NaIrO₆

Prasad¹,

Doert

Felser³

et al. 2018

Chemistry A European J

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Open-shell transition metal oxides are capable of developing a rich diversity of electronic phases. The specific features evolving crucially depend on an intricate interplay of various local and long-range electronic interactions. Recently, the 5d transition elements have come into sharp focus because for these elements spin-orbit coupling (SOC) and onsite Coulomb repulsion (U) are on a comparable energy scale. For Ir the t level associated to an octahedral crystal field (CF) is split by SOC, giving rise to a J = spin state and rendering respective oxides like Sr IrO as Mott insulators. Transferring this scenario to iridium(V) oxides would lead to a diamagnetic ground state, J =0. However, reported experimental results do not lend unambiguous support for such an electronic state. Theoretical explanations for the breakdown of the J=0 magnetic state suffer from conspicuous discrepancies. In an attempt to empirically contribute to resolving the puzzle, Bi NaIrO was synthesized in high purity by precipitation from homogeneous solution; it represents an iridium(V) oxide where long range band structure effects and magnetic superexchange are minimized, and the t degeneracy is lifted geometrically. We managed to reduce the strength of paramagnetic response, lending support to a J =0 ground state of Bi NaIrO , exhibiting van Vleck type behavior.

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“…Despite the expected nonmagnetic state of the Ir 4+ ion and, thus, the anticipated absence of any magnetic behavior in the pentavalent double perovskite iridates, two of them, Sr 2 YIrO 6 and Ba 2 YIrO 6 and their solid solutions, have attracted a great deal of attention in the magnetic community. This interest was triggered by controversial publications of experiments, some of them suggesting a strongly AFM behavior even with static order at low temperatures [39,40], while other reported only weak paramagnetism [41][42][43][44][45][46]. On the theory side, these controversial observations led to various proposals invalidating the S − l entanglement in the ground state of certain SOC-assisted Mott insulators, which may also be applicable to the pentavalent iridates in question [47][48][49][50][51][52].…”

Section: Origin Of Magnetic Behavior Of the Pentavalent Iridate Ba 2 mentioning

confidence: 99%

Insights into the Spin–Orbital Entanglement in Complex Iridium Oxides from High-Field ESR Spectroscopy

Kataev

2021

Appl Magn Reson

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Complex iridium oxides have attracted recently a substantial interdisciplinary attention due to an intimate entanglement of spin and orbital degrees of freedom which may give rise to a novel spin–orbital Mott insulating behavior and exotic quantum spin liquid phases. Electron spin resonance (ESR) spectroscopy is known to be an instructive tool for studying the spin–orbital coupling (SOC) effects as it can directly access the relevant parameters sensitive to SOC, such as the g factor tensor, magnetic anisotropy gaps and spin dynamics. In this article, a systematic study at the Leibniz IFW Dresden of the static and dynamic properties of selected Ir-based materials with multi-frequency high-field ESR spectroscopy will be reviewed. Specifically, evidence for a surprisingly isotropic antiferromagnetic spin dynamics and the inversion of the orbital states in the prototypical spin–orbital Mott insulator $$\text {Sr}_2\text {IrO}_4$$ Sr 2 IrO 4 , observation of the collective resonance modes in the family of double perovskites $$\text {La}_2$$ La 2 B$$\text {IrO}_6$$ IrO 6 (B = Cu, Co) and the origin of the unexpected magnetism in the double perovskite $$\text {Ba}_2\text {YIrO}_6$$ Ba 2 YIrO 6 will be highlighted.

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Diluted paramagnetic impurities in nonmagnetic Ba2YIrO6

Cited by 29 publications

References 44 publications

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

On J_eff=0 Ground State Iridates(V): Tracking Residual Paramagnetism in New Bi₂NaIrO₆

Insights into the Spin–Orbital Entanglement in Complex Iridium Oxides from High-Field ESR Spectroscopy

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Diluted paramagnetic impurities in nonmagnetic Ba2YIrO6

Cited by 29 publications

References 44 publications

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6

On Jeff=0 Ground State Iridates(V): Tracking Residual Paramagnetism in New Bi2NaIrO6

Insights into the Spin–Orbital Entanglement in Complex Iridium Oxides from High-Field ESR Spectroscopy

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On J_eff=0 Ground State Iridates(V): Tracking Residual Paramagnetism in New Bi₂NaIrO₆