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- W2023454047 abstract "Superconductivity in hole-doped Li_xNbO_2 has been reported with T_c ~ 5 K in the range 0.45 < x < 0.8. The electronic structure is based on a two-dimensional triangular Nb lattice. The strong trigonal crystal field results in a single Nb d(z^2) band isolated within a wide gap, leading to a single-band triangular lattice system. The isolated, partially filled band has a width W=1.5 eV with dominant second neighbor hopping. To identify possible correlation effects, we apply DMFT(QMC) using on-site Coulomb repulsion U=0-3 eV, and check selected results using determinant QMC. For U as small as 1 eV, the single particle spectrum displays a robust lower Hubbard band, suggesting the importance of correlation effects in Li_xNbO_2 even for U < W. At half-filling (x=0), a Mott transition occurs at U_c ~ 1.5 eV. Coupling between the O A_g phonon displacement and correlation effects is assessed." @default.
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- W2023454047 date "2007-10-25" @default.
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- W2023454047 title "Correlation effects in the triangular lattice single-band system<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mi mathvariant=normal>Li</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:mi mathvariant=normal>Nb</mml:mi><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W2023454047 doi "https://doi.org/10.1103/physrevb.76.144513" @default.
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