Experimental observation and computational study of the spin-gap excitation in Ba3BiRu2O9

C. D. Ling; Z. Huang; B. J. Kennedy; S. Rols; M. R. Johnson; M. Zbiri; S. A. J. Kimber; J. Hudspeth; D. T. Adroja; K. C. Rule; M. Avdeev; P. E. R. Blanchard

doi:10.1103/PhysRevB.94.174401

Experimental observation and computational study of the spin-gap excitation in Ba₃BiRu₂O₉

C. D. Ling, Z. Huang, B. J. Kennedy, S. Rols, M. R. Johnson, M. Zbiri, S. A. J. Kimber, J. Hudspeth, D. T. Adroja, K. C. Rule, M. Avdeev, P. E. R. Blanchard

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Abstract

Ba₃BiRu₂O₉ is a 6H-type perovskite compound containing face-sharing octahedral M₂O₉ (M = Ir, Ru) dimers, which are magnetically frustrated at low temperatures. On cooling through T^∗ = 176 K, it undergoes a pronounced magnetostructural transition, which is not accompanied by any change in space group symmetry, long-range magnetic ordering, or charge ordering. Here, we report the first direct evidence from inelastic neutron scattering that this transition is due to an opening of a gap in the excitation spectra of dimers of low-spin Ru⁴⁺ (S = 1) ions. X-ray absorption spectroscopy reveals a change in Ru-Ru orbital overlap at T^∗, linking the emergence of this spin-gap excitation to the magnetostructural transition. Ab initio calculations point to a geometrically frustrated magnetic ground state due to antiferromagnetic interdimer exchange on a triangular Ru₂O₉ dimer lattice. X-ray total-scattering data rule out long-range magnetic ordering at low temperatures, consistent with this geometrically frustrated model.

Original language	English
Article number	174401
Pages (from-to)	174401-1-174401-8
Number of pages	8
Journal	Physical Review B: covering condensed matter and materials physics
Volume	94
Issue number	17
DOIs	https://doi.org/10.1103/PhysRevB.94.174401
Publication status	Published - Nov 2016
Externally published	Yes

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Ling, C. D., Huang, Z., Kennedy, B. J., Rols, S., Johnson, M. R., Zbiri, M., Kimber, S. A. J., Hudspeth, J., Adroja, D. T., Rule, K. C., Avdeev, M., & Blanchard, P. E. R. (2016). Experimental observation and computational study of the spin-gap excitation in Ba₃BiRu₂O₉. Physical Review B: covering condensed matter and materials physics, 94(17), 174401-1-174401-8. [174401]. https://doi.org/10.1103/PhysRevB.94.174401

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title = "Experimental observation and computational study of the spin-gap excitation in Ba3BiRu2O9",

abstract = "Ba3BiRu2O9 is a 6H-type perovskite compound containing face-sharing octahedral M2O9 (M = Ir, Ru) dimers, which are magnetically frustrated at low temperatures. On cooling through T∗ = 176 K, it undergoes a pronounced magnetostructural transition, which is not accompanied by any change in space group symmetry, long-range magnetic ordering, or charge ordering. Here, we report the first direct evidence from inelastic neutron scattering that this transition is due to an opening of a gap in the excitation spectra of dimers of low-spin Ru4+ (S = 1) ions. X-ray absorption spectroscopy reveals a change in Ru-Ru orbital overlap at T∗, linking the emergence of this spin-gap excitation to the magnetostructural transition. Ab initio calculations point to a geometrically frustrated magnetic ground state due to antiferromagnetic interdimer exchange on a triangular Ru2O9 dimer lattice. X-ray total-scattering data rule out long-range magnetic ordering at low temperatures, consistent with this geometrically frustrated model.",

author = "Ling, {C. D.} and Z. Huang and Kennedy, {B. J.} and S. Rols and Johnson, {M. R.} and M. Zbiri and Kimber, {S. A. J.} and J. Hudspeth and Adroja, {D. T.} and Rule, {K. C.} and M. Avdeev and Blanchard, {P. E. R.}",

year = "2016",

month = nov,

doi = "10.1103/PhysRevB.94.174401",

language = "English",

volume = "94",

pages = "174401--1--174401--8",

journal = "Physical Review B: covering condensed matter and materials physics",

issn = "2469-9950",

publisher = "The American Physical Society",

number = "17",

}

Ling, CD, Huang, Z, Kennedy, BJ, Rols, S, Johnson, MR, Zbiri, M, Kimber, SAJ, Hudspeth, J, Adroja, DT, Rule, KC, Avdeev, M & Blanchard, PER 2016, 'Experimental observation and computational study of the spin-gap excitation in Ba₃BiRu₂O₉', Physical Review B: covering condensed matter and materials physics, vol. 94, no. 17, 174401, pp. 174401-1-174401-8. https://doi.org/10.1103/PhysRevB.94.174401

TY - JOUR

T1 - Experimental observation and computational study of the spin-gap excitation in Ba3BiRu2O9

AU - Ling, C. D.

AU - Huang, Z.

AU - Kennedy, B. J.

AU - Rols, S.

AU - Johnson, M. R.

AU - Zbiri, M.

AU - Kimber, S. A. J.

AU - Hudspeth, J.

AU - Adroja, D. T.

AU - Rule, K. C.

AU - Avdeev, M.

AU - Blanchard, P. E. R.

PY - 2016/11

Y1 - 2016/11

N2 - Ba3BiRu2O9 is a 6H-type perovskite compound containing face-sharing octahedral M2O9 (M = Ir, Ru) dimers, which are magnetically frustrated at low temperatures. On cooling through T∗ = 176 K, it undergoes a pronounced magnetostructural transition, which is not accompanied by any change in space group symmetry, long-range magnetic ordering, or charge ordering. Here, we report the first direct evidence from inelastic neutron scattering that this transition is due to an opening of a gap in the excitation spectra of dimers of low-spin Ru4+ (S = 1) ions. X-ray absorption spectroscopy reveals a change in Ru-Ru orbital overlap at T∗, linking the emergence of this spin-gap excitation to the magnetostructural transition. Ab initio calculations point to a geometrically frustrated magnetic ground state due to antiferromagnetic interdimer exchange on a triangular Ru2O9 dimer lattice. X-ray total-scattering data rule out long-range magnetic ordering at low temperatures, consistent with this geometrically frustrated model.

AB - Ba3BiRu2O9 is a 6H-type perovskite compound containing face-sharing octahedral M2O9 (M = Ir, Ru) dimers, which are magnetically frustrated at low temperatures. On cooling through T∗ = 176 K, it undergoes a pronounced magnetostructural transition, which is not accompanied by any change in space group symmetry, long-range magnetic ordering, or charge ordering. Here, we report the first direct evidence from inelastic neutron scattering that this transition is due to an opening of a gap in the excitation spectra of dimers of low-spin Ru4+ (S = 1) ions. X-ray absorption spectroscopy reveals a change in Ru-Ru orbital overlap at T∗, linking the emergence of this spin-gap excitation to the magnetostructural transition. Ab initio calculations point to a geometrically frustrated magnetic ground state due to antiferromagnetic interdimer exchange on a triangular Ru2O9 dimer lattice. X-ray total-scattering data rule out long-range magnetic ordering at low temperatures, consistent with this geometrically frustrated model.

U2 - 10.1103/PhysRevB.94.174401

DO - 10.1103/PhysRevB.94.174401

M3 - Article

SN - 2469-9950

VL - 94

SP - 174401-1-174401-8

JO - Physical Review B: covering condensed matter and materials physics

JF - Physical Review B: covering condensed matter and materials physics

IS - 17

M1 - 174401

ER -

Experimental observation and computational study of the spin-gap excitation in Ba3BiRu2O9

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Experimental observation and computational study of the spin-gap excitation in Ba₃BiRu₂O₉