Spin-orbit effects on the Ru-d orbital hybridization and Fermi surface in Ca2-xSr[x]RuO4

  • Oguchi Tamio
    Department of Quantum Matter, ADSM, Hiroshima University Institute for Advanced Materials Research, Hiroshima University

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タイトル別名
  • Spin–Orbit Effects on the Ru-<I>d</I> Orbital Hybridization and Fermi Surface in Ca<SUB>2−<I>x</I></SUB>Sr<I><SUB>x</SUB></I>RuO<SUB>4</SUB>
  • Spin–Orbit Effects on the Ru-<i>d</i> Orbital Hybridization and Fermi Surface in Ca<sub>2-<i>x</i></sub>Sr<sub><i>x</i></sub>RuO<sub>4</sub>
  • Spin-orbit effects on the Ru-d orbital hybridization and Fermi surface in Ca2−xSrxRuO4

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Orbital hybridization and Fermi surface of Ca2−xSrxRuO4 in metallic phases (0.2≤x≤2) are studied by using first-principles electronic-structure calculations with spin–orbit coupling (SOC). The SOC effect appears almost negligible in the electronic structure near the Fermi energy in Sr2RuO4, while it turns out to be significant in Ca2−xSrxRuO4 (x=0.5 and 0.2) because of coupling with symmetry lowering due to rotation and tilt of RuO6 octahedron. Calculated Fermi-surface topology for Ca2−xSrxRuO4 (x=0.5 and 0.2) is reasonably consistent with recent angle-resolved photo-emission spectroscopy measurements.

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