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• W3000937614 abstract "We present an ab initio $GW$ self-energy calculation of the electronic structure of LaNiO$_2$. With respect to density-functional theory we find that in $GW$ the La 4$f$ states undergo an important $+$2 eV upward shift from the Fermi level, while the O 2$p$ states are pulled down by $-$1.5 eV, thus reinforcing the charge-transfer character of this material. However, $GW$ many-body effects leave the $d$-like bands at the Fermi level almost unaffected, so that the Fermi-surface topology is preserved, unlike in cuprates." @default.
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• W3000937614 date "2020-04-03" @default.
• W3000937614 modified "2023-09-25" @default.
• W3000937614 title "<i>Ab initio</i> many-body <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> correlations in the electronic structure of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>LaNiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>" @default.
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• W3000937614 doi "https://doi.org/10.1103/physrevb.101.161102" @default.
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