Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4

Sutter, D.; Fatuzzo, C. G.; Moser, S.; Kim, M.; Fittipaldi, R.; Vecchione, A.; Granata, V.; Sassa, Y.; Cossalter, F.; Gatti, G.; Grioni, M.; Rønnow, H. M.; Plumb, N. C.; Matt, C. E.; Shi, M.; Hoesch, M.; Kim, T. K.; Chang, T-R; Jeng, H-T; Jozwiak, C.; Bostwick, A.; Rotenberg, E.; Georges, A.; Neupert, T.; Chang, J.

doi:10.1038/ncomms15176

Hallmarks of Hunds coupling in the Mott insulator Ca₂RuO₄

Journal Article · Fri May 05 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/ncomms15176· OSTI ID:1605214

^[1]; Fatuzzo, C. G. ^[2]; Moser, S. ^[3]; ^[4]; Fittipaldi, R. ^[5]; Vecchione, A. ^[5]; Granata, V. ^[5]; Sassa, Y. ^[6]; Cossalter, F. ^[1]; Gatti, G. ^[2]; Grioni, M. ^[2]; Rønnow, H. M. ^[2]; Plumb, N. C. ^[7]; Matt, C. E. ^[7]; Shi, M. ^[7]; Hoesch, M. ^[8]; Kim, T. K. ^[8]; Chang, T-R ^[9]; Jeng, H-T ^[10]; Jozwiak, C. ^[3] more »

Univ. of Zurich (Switzerland)
Ecole Polytechnique Federale Lausanne (Switzlerland)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Ecole Polytechnique, Palaiseau (France)
Univ. di Salerno (Italy)
Uppsala Univ. (Sweden)
Paul Scherrer Inst. (PSI), Villigen (Switzerland). Swiss Light Source
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Diamond Light Source, Ltd.
National Tsing Hua Univ., Hsinchu (Taiwan); National Cheng Kung Univ., Tainan City (Taiwan)
National Tsing Hua Univ., Hsinchu (Taiwan); Academia Sinica, Taipei (Taiwan)
College de France, Paris (France); Ecole Polytechnique, Palaiseau (France); Univ. of Geneva (Switzerland)

A paradigmatic case of multi-band Mott physics including spin-orbit and Hund's coupling is realized in Ca2RuO4. Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the low-energy electronic structure. Here we provide-using angle-resolved photoemission electron spectroscopy-the band structure of the paramagnetic insulating phase of Ca2RuO4 and show how it features several distinct energy scales. Comparison to a simple analysis of atomic multiplets provides a quantitative estimate of the Hund's coupling J=0.4 eV. Furthermore, the experimental spectra are in good agreement with electronic structure calculations performed with Dynamical Mean-Field Theory. The crystal field stabilization of the dxy orbital due to c-axis contraction is shown to be essential to explain the insulating phase. These results underscore the importance of multi-band physics, Coulomb interaction and Hund's coupling that together generate the Mott insulating state of Ca2RuO4.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1605214

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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