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Photoemission and DMFT study of electronic correlations in SrMoO3: Effects of Hund's rule coupling and possible plasmonic sideband

Wadati, H. and Mravlje, J. and Yoshimatsu, K. and Kumigashira, H. and Oshima, M. and Sugiyama, T. and Ikenaga, E. and Fujimori, A. and Georges, A. and Radetinac, A. and Takahashi, K. S. and Kawasaki, M. and Tokura, Y. (2014):
Photoemission and DMFT study of electronic correlations in SrMoO3: Effects of Hund's rule coupling and possible plasmonic sideband.
In: Physical Review B, APS Publications, p. 205131, 90, (20), ISSN 1098-0121,
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.90.205131],
[Article]

Abstract

We investigate the electronic structure of a perovskite-type Pauli paramagnet SrMoO3 (t2g2) thin film using hard x-ray photoemission spectroscopy and compare the results to realistic calculations that combine density functional theory within the local-density approximation (LDA) with dynamical mean-field theory (DMFT). Despite the clear signature of electron correlations in the electronic specific heat, the narrowing of the quasiparticle bands is not observed in the photoemission spectrum. This is explained in terms of the characteristic effect of Hund's rule coupling for partially filled t2g bands, which induces strong quasiparticle renormalization already for values of Hubbard interaction which are smaller than the bandwidth. This interpretation is supported by DMFT model calculations including Hund's rule coupling, which show a renormalization of low-energy quasiparticles without affecting the overall bandwidth. The photoemission spectra show additional spectral weight around −2.5 eV that is not present in the LDA+DMFT results, pointing to a source of correlations that is not present in our calculations that include only on-site interactions. We interpret this weight as a plasmon satellite, which is supported by the measured core-level spectra that all show satellites at this energy.

Item Type: Article
Erschienen: 2014
Creators: Wadati, H. and Mravlje, J. and Yoshimatsu, K. and Kumigashira, H. and Oshima, M. and Sugiyama, T. and Ikenaga, E. and Fujimori, A. and Georges, A. and Radetinac, A. and Takahashi, K. S. and Kawasaki, M. and Tokura, Y.
Title: Photoemission and DMFT study of electronic correlations in SrMoO3: Effects of Hund's rule coupling and possible plasmonic sideband
Language: English
Abstract:

We investigate the electronic structure of a perovskite-type Pauli paramagnet SrMoO3 (t2g2) thin film using hard x-ray photoemission spectroscopy and compare the results to realistic calculations that combine density functional theory within the local-density approximation (LDA) with dynamical mean-field theory (DMFT). Despite the clear signature of electron correlations in the electronic specific heat, the narrowing of the quasiparticle bands is not observed in the photoemission spectrum. This is explained in terms of the characteristic effect of Hund's rule coupling for partially filled t2g bands, which induces strong quasiparticle renormalization already for values of Hubbard interaction which are smaller than the bandwidth. This interpretation is supported by DMFT model calculations including Hund's rule coupling, which show a renormalization of low-energy quasiparticles without affecting the overall bandwidth. The photoemission spectra show additional spectral weight around −2.5 eV that is not present in the LDA+DMFT results, pointing to a source of correlations that is not present in our calculations that include only on-site interactions. We interpret this weight as a plasmon satellite, which is supported by the measured core-level spectra that all show satellites at this energy.

Journal or Publication Title: Physical Review B
Volume: 90
Number: 20
Publisher: APS Publications
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Advanced Thin Film Technology
Date Deposited: 09 Feb 2015 13:25
Official URL: http://dx.doi.org/10.1103/PhysRevB.90.205131
Identification Number: doi:10.1103/PhysRevB.90.205131
Funders: This research was granted by the Japan Society for the Promotion of Science (JSPS) through the “Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program),” initiated by the Council for Science and Technology Policy (CSTP)., This work was supported in part by JSPS Grant-in-Aid for Scientific Research(S) No. 24224009., The synchrotron radiation experiments at SPring-8 were performed under the approval of the Japan Synchrotron Radiation Research Institute (2010B1740 and 2011A1624)., The synchrotron radiation experiments at KEK-PF were performed under the approval of the Program Advisory Committee (Proposal No. 2008S2-003) at the Institute of Materials Structure Science, K.E.K., The computing time was provided by IDRIS-GENCI under Grant 2011091393., J.M. acknowledges support of the Slovenian Research Agency (ARRS) under Program P1-0044 and A.G. the support of the European Research Council (Grant ERC-319286 QMAC).
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