by Rossi, M., Retegan, M., Giacobbe, C., Fumagalli, R. and Efimenko, A., Kulka, T., Wohlfeld, K., Gubanov, A. I. and Sala, M. Moretti
Abstract:
Recent theoretical predictions of “unprecedented proximity” of the electronic ground state of iridium fluorides to the SU(2) symmetric j(eff) = 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 L-3-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb-2[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)], but we observe a sizable deviation of the j(eff) = 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.
Reference:
Possibility to realize spin-orbit-induced correlated physics in iridium fluorides (Rossi, M., Retegan, M., Giacobbe, C., Fumagalli, R. and Efimenko, A., Kulka, T., Wohlfeld, K., Gubanov, A. I. and Sala, M. Moretti), In PHYSICAL REVIEW B, AMER PHYSICAL SOC, volume 95, 2017.
Bibtex Entry:
@article{ ISI:000404469000005, Author = {Rossi, M. and Retegan, M. and Giacobbe, C. and Fumagalli, R. and Efimenko, A. and Kulka, T. and Wohlfeld, K. and Gubanov, A. I. and Sala, M. Moretti}, Title = {{Possibility to realize spin-orbit-induced correlated physics in iridium fluorides}}, Journal = {{PHYSICAL REVIEW B}}, Year = {{2017}}, Volume = {{95}}, Number = {{23}}, Month = {{JUN 30}}, Abstract = {{Recent theoretical predictions of ``unprecedented proximity{''} of the electronic ground state of iridium fluorides to the SU(2) symmetric j(eff) = 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 L-3-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb-2{[}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)], but we observe a sizable deviation of the j(eff) = 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.}}, Publisher = {{AMER PHYSICAL SOC}}, Address = {{ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}}, Type = {{Article}}, Language = {{English}}, Affiliation = {{Rossi, M (Corresponding Author), ESRF, 71 Ave Martyrs, F-38000 Grenoble, France. Rossi, M.; Retegan, M.; Giacobbe, C.; Fumagalli, R.; Efimenko, A.; Sala, M. Moretti, ESRF, 71 Ave Martyrs, F-38000 Grenoble, France. Kulka, T.; Wohlfeld, K., Univ Warsaw, Fac Phys, Inst Theoret Phys, Pasteura 5, PL-02093 Warsaw, Poland. Wohlfeld, K.; Gubanov, A. I., Russian Acad Sci, Siberian Branch, Nikolaev Inst Inorgan Chem, Akademician Lavrentiev Prospekt 3, Novosibirsk 630090 90, Russia. Gubanov, A. I., Novosibirsk State Univ, Pirogova St 2, Novosibirsk 630090 90, Russia.}}, DOI = {{10.1103/PhysRevB.95.235161}}, Article-Number = {{235161}}, ISSN = {{2469-9950}}, EISSN = {{2469-9969}}, Keywords-Plus = {{BASIS-SETS; VALENCE; STATES; IR}}, Research-Areas = {{Materials Science; Physics}}, Web-of-Science-Categories = {{Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter}}, Author-Email = {{matteo.rossi@esrf.fr}}, ResearcherID-Numbers = {{Retegan, Marius/I-4184-2016 Moretti, Marco/AAF-9255-2019 Wohlfeld, Krzysztof/Q-2351-2019 Wohlfeld, Krzysztof/B-4489-2014 Sala, Marco Moretti/H-1034-2014 Gubanov, Alexander/A-7189-2014 }}, ORCID-Numbers = {{Retegan, Marius/0000-0002-1525-1094 Moretti, Marco/0000-0002-9744-9976 Wohlfeld, Krzysztof/0000-0002-6524-8264 Wohlfeld, Krzysztof/0000-0002-6524-8264 Sala, Marco Moretti/0000-0002-9744-9976 Gubanov, Alexander/0000-0002-6966-3844 Rossi, Matteo/0000-0002-4254-0713}}, Funding-Acknowledgement = {{Narodowe Centrum Nauki (NCN, National Science Center) {[}2012/04/A/ST3/00331, 2016/22/E/ST3/00560]}}, Funding-Text = {{We acknowledge the European Synchrotron Radiation Facility (ESRF, France) for providing beamtime. T.K. thanks the ESRF for kind hospitality. K.W. acknowledges support by Narodowe Centrum Nauki (NCN, National Science Center) under Projects No. 2012/04/A/ST3/00331 and No. 2016/22/E/ST3/00560. The authors are grateful to C. Hen-riquet and B. Detlefs for technical assistance during the experiment and to M. Krisch for critical reading of the manuscript.}}, Number-of-Cited-References = {{62}}, Times-Cited = {{6}}, Usage-Count-Last-180-days = {{0}}, Usage-Count-Since-2013 = {{23}}, Journal-ISO = {{Phys. Rev. B}}, Doc-Delivery-Number = {{EZ1KD}}, Unique-ID = {{ISI:000404469000005}}, OA = {{Green Published}}, DA = {{2020-12-22}}, }
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