Research output: Contribution to journal › Article › peer-review
Possibility to realize spin-orbit-induced correlated physics in iridium fluorides. / Rossi, M.; Retegan, M.; Giacobbe, C. et al.
In: Physical Review B, Vol. 95, No. 23, 235161, 30.06.2017.Research output: Contribution to journal › Article › peer-review
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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 -
ID: 10072757