Direct observation of kink evolution due to Hund’s coupling on approach to metal-insulator transition in NiS2−xSex

Bo Gyu Jang, Garam Han, Ina Park, Dongwook Kim, Yoon Young Koh, Yeongkwan Kim, Wonshik Kyung, Hyeong-Do Kim, Cheng-Maw Cheng, Ku-Ding Tsuei, Kyung Dong Lee, Namjung Hur, Ji Hoon Shim (), Changyoung Kim () and Gabriel Kotliar
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Bo Gyu Jang: Pohang University of Science and Technology
Garam Han: Institute for Basic Science (IBS)
Ina Park: Pohang University of Science and Technology
Dongwook Kim: Pohang University of Science and Technology
Yoon Young Koh: Pohang University of Science and Technology
Yeongkwan Kim: KAIST
Wonshik Kyung: Institute for Basic Science (IBS)
Hyeong-Do Kim: Institute for Basic Science (IBS)
Cheng-Maw Cheng: National Synchrotron Radiation Research Center
Ku-Ding Tsuei: National Synchrotron Radiation Research Center
Kyung Dong Lee: Inha University
Namjung Hur: Inha University
Ji Hoon Shim: Pohang University of Science and Technology
Changyoung Kim: Institute for Basic Science (IBS)
Gabriel Kotliar: Rutgers University

Nature Communications, 2021, vol. 12, issue 1, 1-7

Abstract: Abstract Understanding characteristic energy scales is a fundamentally important issue in the study of strongly correlated systems. In multiband systems, an energy scale is affected not only by the effective Coulomb interaction but also by the Hund’s coupling. Direct observation of such energy scale has been elusive so far in spite of extensive studies. Here, we report the observation of a kink structure in the low energy dispersion of NiS2−xSex and its characteristic evolution with x, by using angle resolved photoemission spectroscopy. Dynamical mean field theory calculation combined with density functional theory confirms that this kink originates from Hund’s coupling. We find that the abrupt deviation from the Fermi liquid behavior in the electron self-energy results in the kink feature at low energy scale and that the kink is directly related to the coherence-incoherence crossover temperature scale. Our results mark the direct observation of the evolution of the characteristic temperature scale via kink features in the spectral function, which is the hallmark of Hund’s physics in the multiorbital system.

Date: 2021
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DOI: 10.1038/s41467-021-21460-5

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