Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4
Abstract
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.
- Authors:
-
[1];
[4];
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- 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)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1605214
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
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., and Chang, J. Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4. United States: N. p., 2017.
Web. doi:10.1038/ncomms15176.
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. Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4. United States. https://doi.org/10.1038/ncomms15176
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., and Chang, J. Fri .
"Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4". United States. https://doi.org/10.1038/ncomms15176. https://www.osti.gov/servlets/purl/1605214.
@article{osti_1605214,
title = {Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4},
author = {Sutter, D. and Fatuzzo, C. G. and Moser, S. and Kim, M. and Fittipaldi, R. and Vecchione, A. and Granata, V. and Sassa, Y. and Cossalter, F. and Gatti, G. and Grioni, M. and Rønnow, H. M. and Plumb, N. C. and Matt, C. E. and Shi, M. and Hoesch, M. and Kim, T. K. and Chang, T-R and Jeng, H-T and Jozwiak, C. and Bostwick, A. and Rotenberg, E. and Georges, A. and Neupert, T. and Chang, J.},
abstractNote = {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.},
doi = {10.1038/ncomms15176},
journal = {Nature Communications},
number = 1,
volume = 8,
place = {United States},
year = {Fri May 05 00:00:00 EDT 2017},
month = {Fri May 05 00:00:00 EDT 2017}
}
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