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DOI

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.
Язык оригиналаАнглийский
Страницы (с-по)798-803
Число страниц6
ЖурналJETP Letters
Том116
Номер выпуска11
DOI
СостояниеОпубликовано - 2022

    Предметные области ASJC Scopus

  • Физика и астрономия в целом

    Предметные области WoS

  • Физика, Многопрофильные области

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  • Перечень ВАК

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