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- W2023486648 abstract "Using $Ntext{th}$ order muffin-tin-orbital-based downfolding technique in combination with dynamical mean field theory, we investigate the correlated electronic structure of ${text{La}}_{2}{text{CuO}}_{4}$ in the so-called ``$T$'' and ``${T}^{ensuremath{'}}$'' crystal structure which serve as the parent compounds for the hole-doped and electron-doped high ${T}_{c}$ compounds. ${text{La}}_{2}{text{CuO}}_{4}$, which naturally forms in $T$ structure, has been reported to made to form in ${T}^{ensuremath{'}}$ structure by means of special thin-film synthesis technique of replacing La by isovalent $RE$ $(RE=text{Y},text{Lu},text{Sm},text{Gd}dots{})$ ions [A. Tsukada et al., Solid State Commun. 133, 427 (2005)]. The experimental studies on ${T}^{ensuremath{'}}$-structured ${text{La}}_{2}{text{CuO}}_{4}$ reveal contrasting properties to that in $T$ structure, which we examine by means of electronic structure calculations. Our dynamical mean field calculations show introduction of correlation effect to the one-electron band structure of ${T}^{ensuremath{'}}$- and $T$-structured ${text{La}}_{2}{text{CuO}}_{4}$, providing metallic solution in one case $({T}^{ensuremath{'}})$ and insulating solution to another $(T)$." @default.
- W2023486648 created "2016-06-24" @default.
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- W2023486648 date "2009-04-27" @default.
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- W2023486648 title "Electronic structure of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>La</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>CuO</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>in the<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>T</mml:mi></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msup><…" @default.
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- W2023486648 doi "https://doi.org/10.1103/physrevb.79.134522" @default.
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