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- W2029509222 abstract "The electronic structures of the titanium-doped perovskite ruthenates $mathrm{Sr}{mathrm{Ru}}_{1ensuremath{-}x}{mathrm{Ti}}_{x}{mathrm{O}}_{3}$ with $x=0.25$, 0.50, and 0.75 are investigated using the generalized gradient approximation (GGA) as well as the GGA plus Hubbard $U$ $(mathrm{GGA}+U)$ scheme. It is found that the Ti substitutions with nearly empty $3d$ orbitals and relatively smaller atomic sizes significantly affect the orbital ordering patterns on the Ru sublattices. In addition, the observed metal-insulator transition upon change in the Ti dopant concentration is demonstrated to be driven primarily by the on-site Coulomb correlation $U$. The good agreement between the $mathrm{GGA}+U$ results and the experimental observations reveals that the electron correlation plays an important role in $mathrm{Sr}{mathrm{Ru}}_{1ensuremath{-}x}{mathrm{Ti}}_{x}{mathrm{O}}_{3}$." @default.
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- W2029509222 date "2008-02-26" @default.
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- W2029509222 title "Electronic structure and orbital ordering of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi mathvariant=normal>Sr</mml:mi><mml:msub><mml:mi mathvariant=normal>Ru</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant=normal>Ti</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>:<mml:math xmlns…" @default.
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- W2029509222 doi "https://doi.org/10.1103/physrevb.77.085118" @default.
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