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• W2045286603 abstract "We propose a mechanism for the paramagnetic metal-insulator transition in the layered perovskite Ca${}_{2ensuremath{-}x}$Sr${}_{x}$RuO${}_{4}$ ($0ensuremath{le}xensuremath{le}0.2$). The LDA+$U$ approach including spin-orbit coupling is used to calculate the electronic structures. In Ca${}_{2}$RuO${}_{4}$, we show that the spin-orbit effect is strongly enhanced by the Coulomb repulsion, which leads to an insulating phase. When Ca is substituted by Sr, the effective spin-orbit splitting is reduced due to the increasing bandwidth of the degenerate ${d}_{xz}$ and ${d}_{yz}$ orbitals. For $x=0.2$, the compound is found to be metallic. We show that these results are in good agreement with the experimental phase diagram." @default.
• W2045286603 created "2016-06-24" @default.
• W2045286603 creator A5086425431 @default.
• W2045286603 date "2011-12-21" @default.
• W2045286603 modified "2023-09-25" @default.
• W2045286603 title "Spin-orbit coupling induced Mott transition in Ca2−xSrxRuO4(0≤x≤0.2)" @default.
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• W2045286603 doi "https://doi.org/10.1103/physrevb.84.235136" @default.
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