Charge Disproportionation and Spin-Ordering Tendencies in Na(x)CoO2 at x=1/3

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Kunes, J.; Lee, K. -W.; Pickett, W. E.;
  • Subject: Condensed Matter - Strongly Correlated Electrons | Condensed Matter - Superconductivity | Condensed Matter - Disordered Systems and Neural Networks
    arxiv: Condensed Matter::Strongly Correlated Electrons | Condensed Matter::Materials Science

The strength and effect of Coulomb correlations in the (superconducting when hydrated) x~1/3 regime of Na(x)CoO(2) have been evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum fluctuations, are: (1) there is a critical $U_{c}$ = 3 e... View more
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