Unraveling electronic-structure features for metallic Na0.33CoO2 and charge-ordered Na0.5CoO2 by high-resolution electron energy-loss spectroscopy

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dc.creatorXiao, R. J.
dc.creatorChen, J. H.
dc.creatorYang, H. X.
dc.creatorMa, C.
dc.creatorXu, Q.
dc.creatorZandbergen, H. W.
dc.creatorLi, J. Q.
dc.date2006-12-07
dc.date.accessioned2026-07-07T07:31:35Z
dc.date.available2026-07-07T07:31:35Z
dc.descriptionMeasurements by high-resolution electron energy-loss spectroscopy (HREELS) of NaxCoO2 reveal spectral features that differ remarkably between the metallic Na0.33CoO2 and the charge-ordered insulator Na0.5CoO2. Calculations by density functional theory plus Hubbard U (DFT+U) demonstrate that these differences arise essentially from the relatively greater strength of electron correlation in addition to the crystal-field effect in Na0.5CoO2. The effective U values are estimated to be ~3.0eV for x=0.5 and ~1.0eV for x=0.33, respectively. The electronic structures for these correlation strengths give good interpretations for the physical properties observed in the materials.
dc.description13 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0612183
dc.identifierhttp://arxiv.org/abs/cond-mat/0612183
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/118808
dc.subjectStrongly Correlated Electrons
dc.titleUnraveling electronic-structure features for metallic Na0.33CoO2 and charge-ordered Na0.5CoO2 by high-resolution electron energy-loss spectroscopy
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