Effects of local oxygen distortions on electronic structures of Na$_{x}$CoO$_{2}$

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dc.creatorJun, N.
dc.creatorZhang, G. -M.
dc.date2003-05-19
dc.date2003-09-01
dc.date.accessioned2026-07-07T02:51:24Z
dc.date.available2026-07-07T02:51:24Z
dc.descriptionBy using pseudopotential method with local spin density functional approximation, the electronic band structures of Na$_{x}$CoO$_{2}$ are calculated for $x=0.25$, 0.5, 0.75, and $x=1$ in the presence of the structure relaxations. As increasing Na content, the hybridization between cobalt and oxygen orbitals is decreased, and a phase transition is predicted from a wide-band ferromagnetic to a narrow band paramagnetic metals. The itinerant ferromagnetism is strongly suppressed by the local distortions of the oxygens around the cobalts. Moreover, straining the CoO$_{2}$ layers corresponding to the hydrated superconductor Na$_{0.35}$CoO$_{2}\cdot $1.3H$%_{2}$O strongly enhances both the hybridization and ferromagnetism.
dc.descriptionRevtex 4, 3 pages, 5 figures; the title has been changed to be specific
dc.identifierhttps://arxiv.org/abs/cond-mat/0305423
dc.identifierhttp://arxiv.org/abs/cond-mat/0305423
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21443
dc.subjectMaterials Science
dc.subjectSuperconductivity
dc.titleEffects of local oxygen distortions on electronic structures of Na$_{x}$CoO$_{2}$
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