Considerable non-local electronic correlations in strongly doped Na$_x$CoO$_2$

Details Considerable non-local electronic correlations in strongly doped Na$_x$CoO$_2$ Considerable non-local electronic correlations in strongly doped Na$_x$CoO$_2$

2010-06-23

arxiv.org/abs/1006.4493v1

Physics

Condensed Matter

Strongly Correlated Electrons

16 pages, 23 figures

Scientific paper

The puzzling electronic correlation effects in the sodium cobaltate system are studied by means of the combination of density functional theory and the rotationally invariant slave boson (RISB) method in a cellular-cluster approach. Realistic non-local correlations are hence described in the short-range regime for finite Coulomb interactions on the underlying frustrated triangular lattice. A local Hubbard U is sufficient to model the gross in-plane magnetic behavior with doping x, namely antiferromagnetic correlations at intermediate doping and the onset of ferromagnetic order above x>3/4 with a mixed phase for 0.62

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