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

dc.creatorKunes, J.
dc.creatorLee, K. -W.
dc.creatorPickett, W. E.
dc.date2003-08-19
dc.date2004-04-30
dc.date.accessioned2026-07-07T02:52:59Z
dc.date.available2026-07-07T02:52:59Z
dc.descriptionThe 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 eV, above which charge ordering occurs at x=1/3, (2) in this charge-ordered state, antiferromagnetic coupling is favored over ferromagnetic, while below $U_{c}$, ferromagnetism is favored; and (3) carrier conduction behavior should be very asymmetric for dopings away from x=1/3. For x < 1/3, correlated hopping of parallel spin pairs is favored, suggesting a triplet superconducting phase.
dc.descriptionEight pages, two embedded figures; Proc. NATO Advanced Research Workshop on New Challenges in Superconductivity, NATO Science Series II,(Kluwer, 2004) in press
dc.identifierhttps://arxiv.org/abs/cond-mat/0308388
dc.identifierhttp://arxiv.org/abs/cond-mat/0308388
dc.identifier"New Challenges in Superconductivity: Experimental Advances and Emerging Theories", edited by J. Ashkenazi, M.V. Eremin, J. L. Cohn, I. Eremin, D. Manske, D. Pavuna, and F. Zuo (Kluwer Academic, Boston, 2004), 235-242
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22045
dc.subjectStrongly Correlated Electrons
dc.subjectDisordered Systems and Neural Networks
dc.subjectSuperconductivity
dc.titleCharge Disproportionation and Spin-Ordering Tendencies in Na(x)CoO2 at x=1/3
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