Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6

C. I. Hiley; D. O. Scanlon; A. A. Sokol; S. M. Woodley; A. M. Ganose; S. Sangiao; J. M. De Teresa; P. Manuel; D. D. Khalyavin; M. Walker; M. R. Lees; R. I. Walton

doi:10.1103/PhysRevB.92.104413

Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6

C. I. Hiley, D. O. Scanlon, A. A. Sokol, S. M. Woodley, A. M. Ganose, S. Sangiao, J. M. De Teresa, P. Manuel, D. D. Khalyavin, M. Walker, M. R. Lees, R. I. Walton

Chemistry

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Abstract

We report an experimental and computational study of the magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P3¯1m), which shows antiferromagnetic order with a Néel temperature of 563(2) K, among the highest for 4d oxides. Magnetic order occurs both within edge-shared octahedral sheets and between layers and is accompanied by anisotropic thermal expansivity that implies strong magnetoelastic coupling of Ru(V) centers. Electrical transport measurements using focused-ion-beam-induced deposited contacts on a micron-scale crystallite as a function of temperature show p-type semiconductivity. The calculated electronic structure using hybrid density functional theory successfully accounts for the experimentally observed magnetic and electronic structure, and Monte Carlo simulations reveal how strong intralayer as well as weaker interlayer interactions are a defining feature of the high-temperature magnetic order in the material.

Original language	English
Article number	104413
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	92
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevB.92.104413
Publication status	Published - 14 Sept 2015

Bibliographical note

Publisher Copyright:
© 2015 American Physical Society.

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.92.104413

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Hiley, C. I., Scanlon, D. O., Sokol, A. A., Woodley, S. M., Ganose, A. M., Sangiao, S., De Teresa, J. M., Manuel, P., Khalyavin, D. D., Walker, M., Lees, M. R., & Walton, R. I. (2015). Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6. Physical Review B - Condensed Matter and Materials Physics, 92(10), Article 104413. https://doi.org/10.1103/PhysRevB.92.104413

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title = "Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6",

abstract = "We report an experimental and computational study of the magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P3¯1m), which shows antiferromagnetic order with a N{\'e}el temperature of 563(2) K, among the highest for 4d oxides. Magnetic order occurs both within edge-shared octahedral sheets and between layers and is accompanied by anisotropic thermal expansivity that implies strong magnetoelastic coupling of Ru(V) centers. Electrical transport measurements using focused-ion-beam-induced deposited contacts on a micron-scale crystallite as a function of temperature show p-type semiconductivity. The calculated electronic structure using hybrid density functional theory successfully accounts for the experimentally observed magnetic and electronic structure, and Monte Carlo simulations reveal how strong intralayer as well as weaker interlayer interactions are a defining feature of the high-temperature magnetic order in the material.",

author = "Hiley, {C. I.} and Scanlon, {D. O.} and Sokol, {A. A.} and Woodley, {S. M.} and Ganose, {A. M.} and S. Sangiao and {De Teresa}, {J. M.} and P. Manuel and Khalyavin, {D. D.} and M. Walker and Lees, {M. R.} and Walton, {R. I.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Physical Society.",

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doi = "10.1103/PhysRevB.92.104413",

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AU - Hiley, C. I.

AU - Scanlon, D. O.

AU - Sokol, A. A.

AU - Woodley, S. M.

AU - Ganose, A. M.

AU - Sangiao, S.

AU - De Teresa, J. M.

AU - Manuel, P.

AU - Khalyavin, D. D.

AU - Walker, M.

AU - Lees, M. R.

AU - Walton, R. I.

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N2 - We report an experimental and computational study of the magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P3¯1m), which shows antiferromagnetic order with a Néel temperature of 563(2) K, among the highest for 4d oxides. Magnetic order occurs both within edge-shared octahedral sheets and between layers and is accompanied by anisotropic thermal expansivity that implies strong magnetoelastic coupling of Ru(V) centers. Electrical transport measurements using focused-ion-beam-induced deposited contacts on a micron-scale crystallite as a function of temperature show p-type semiconductivity. The calculated electronic structure using hybrid density functional theory successfully accounts for the experimentally observed magnetic and electronic structure, and Monte Carlo simulations reveal how strong intralayer as well as weaker interlayer interactions are a defining feature of the high-temperature magnetic order in the material.

AB - We report an experimental and computational study of the magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P3¯1m), which shows antiferromagnetic order with a Néel temperature of 563(2) K, among the highest for 4d oxides. Magnetic order occurs both within edge-shared octahedral sheets and between layers and is accompanied by anisotropic thermal expansivity that implies strong magnetoelastic coupling of Ru(V) centers. Electrical transport measurements using focused-ion-beam-induced deposited contacts on a micron-scale crystallite as a function of temperature show p-type semiconductivity. The calculated electronic structure using hybrid density functional theory successfully accounts for the experimentally observed magnetic and electronic structure, and Monte Carlo simulations reveal how strong intralayer as well as weaker interlayer interactions are a defining feature of the high-temperature magnetic order in the material.

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Antiferromagnetism at T>500 K in the layered hexagonal ruthenate SrR u2 O6

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