TY - JOUR

T1 - Possibility to realize spin-orbit-induced correlated physics in iridium fluorides

AU - Rossi, M.

AU - Retegan, M.

AU - Giacobbe, C.

AU - Fumagalli, R.

AU - Efimenko, A.

AU - Kulka, T.

AU - Wohlfeld, K.

AU - Gubanov, A. I.

AU - Moretti Sala, M.

PY - 2017/6/30

Y1 - 2017/6/30

N2 - 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.

AB - 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.

KW - BASIS-SETS

KW - HEXAFLUORIDOIRIDATE(IV)

KW - COMPLEXES

KW - VALENCE

KW - SR2IRO4

KW - STATES

KW - IR

UR - http://www.scopus.com/inward/record.url?scp=85024380015&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.95.235161

DO - 10.1103/PhysRevB.95.235161

M3 - Article

AN - SCOPUS:85024380015

VL - 95

JO - Physical Review B

JF - Physical Review B

SN - 2469-9950

IS - 23

M1 - 235161

ER -