Possibility to realize spin-orbit-induced correlated physics in iridium fluorides

Possibility to realize spin-orbit-induced correlated physics in iridium fluorides Recent theoretical predictions of “unprecedented proximity” of the electronic ground state of iridium fluorides to the SU(2) symmetric jeff=1/2 limit, relevant for superconductivity in iridates, motivated us to investigate their crystal and electronic structure. To this aim, we performed high-resolution x-ray powder diffraction, Ir L3-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb2[IrF6] and other iridium fluorides. Our results are consistent with the Mott insulating scenario predicted by Birol and Haule [Phys. Rev. Lett. 114, 096403 (2015)PRLTAO0031-900710.1103/PhysRevLett.114.096403], but we observe a sizable deviation of the jeff=1/2 state from the SU(2) symmetric limit. Interactions beyond the first coordination shell of iridium are negligible, hence the iridium fluorides do not show any magnetic ordering down to at least 20 K. A larger spin-orbit coupling in iridium fluorides compared to oxides is ascribed to a reduction of the degree of covalency, with consequences on the possibility to realize spin-orbit-induced strongly correlated physics in iridium fluorides. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Possibility to realize spin-orbit-induced correlated physics in iridium fluorides

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Possibility to realize spin-orbit-induced correlated physics in iridium fluorides

Abstract

Recent theoretical predictions of “unprecedented proximity” of the electronic ground state of iridium fluorides to the SU(2) symmetric jeff=1/2 limit, relevant for superconductivity in iridates, motivated us to investigate their crystal and electronic structure. To this aim, we performed high-resolution x-ray powder diffraction, Ir L3-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb2[IrF6] and other iridium fluorides. Our results are consistent with the Mott insulating scenario predicted by Birol and Haule [Phys. Rev. Lett. 114, 096403 (2015)PRLTAO0031-900710.1103/PhysRevLett.114.096403], but we observe a sizable deviation of the jeff=1/2 state from the SU(2) symmetric limit. Interactions beyond the first coordination shell of iridium are negligible, hence the iridium fluorides do not show any magnetic ordering down to at least 20 K. A larger spin-orbit coupling in iridium fluorides compared to oxides is ascribed to a reduction of the degree of covalency, with consequences on the possibility to realize spin-orbit-induced strongly correlated physics in iridium fluorides.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.95.235161
Publisher site
See Article on Publisher Site

Abstract

Recent theoretical predictions of “unprecedented proximity” of the electronic ground state of iridium fluorides to the SU(2) symmetric jeff=1/2 limit, relevant for superconductivity in iridates, motivated us to investigate their crystal and electronic structure. To this aim, we performed high-resolution x-ray powder diffraction, Ir L3-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb2[IrF6] and other iridium fluorides. Our results are consistent with the Mott insulating scenario predicted by Birol and Haule [Phys. Rev. Lett. 114, 096403 (2015)PRLTAO0031-900710.1103/PhysRevLett.114.096403], but we observe a sizable deviation of the jeff=1/2 state from the SU(2) symmetric limit. Interactions beyond the first coordination shell of iridium are negligible, hence the iridium fluorides do not show any magnetic ordering down to at least 20 K. A larger spin-orbit coupling in iridium fluorides compared to oxides is ascribed to a reduction of the degree of covalency, with consequences on the possibility to realize spin-orbit-induced strongly correlated physics in iridium fluorides.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jun 30, 2017

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