The combination of density functional theory with dynamic mean field theory (DFT + DMFT) was applied for the investigation of the magnetic properties of Ca2 –xSrxRuO4. We found that crystal structure distortion results in orbital-selective enhancement of the degree of localization of Ru d-electrons. The electron lifetime on dxy and dxz,yz orbitals differs by ≈5–6 times confirming the model of orbital-selective Mott transition. The change in the Hund exchange parameter JH from 0.5 to 0.9 eV for doping x = 0.5 increases localization degree by ≈3 times but does not destroy orbital-selective behavior which manifests itself more distinctly for smaller JH value. © 2022, Pleiades Publishing, Inc.
Original languageEnglish
Pages (from-to)798-803
Number of pages6
JournalJETP Letters
Volume116
Issue number11
DOIs
Publication statusPublished - 2022

    ASJC Scopus subject areas

  • General Physics and Astronomy

    WoS ResearchAreas Categories

  • Physics, Multidisciplinary

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