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      Zigzag Charge Ordering in alpha'-NaV2O5

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          Abstract

          23Na NMR spectrum measurements in alpha'-NaV2O5 with a single- crystalline sample are reported. In the charge-ordered phase, the number of inequivalent Na sites observed is more than that expected from the low-temperature structures of space group Fmm2 reported so far. This disagreement indicates that the real structure including both atomic displacement and charge disproportionation is of lower symmetry. It is suggested that zigzag ordering is the most probable. The temperature variation of the NMR spectra near the transition temperature is incompatible with that of second-order transitions. It is thus concluded that the charge ordering transition is first-order.

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          New Inorganic Spin-Peierls Compound NaV2O5Evidenced by X-Ray and Neutron Scattering

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            NaV_2O_5 as a quarter-filled ladder compound

            A new X-ray diffraction study of the one-dimensional spin-Peierls compound \alpha-NaV_2O_5 reveals a centrosymmetric (Pmmn) crystal structure with one type of V site, contrary to the previously postulated non-centrosymmetric P2_1mn structure with two types of V sites (V^{+4} and V^{+5}). Density functional calculations indicate that NaV_2O_5 is a quarter-filled ladder compound with the spins carried by V-O-V molecular orbitals on the rungs of the ladder. Estimates of the charge-transfer gap and the exchange coupling agree well with experiment and explain the insulating behavior of NaV_2O_5 and its magnetic properties.
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              Mixed valency and charge ordering in α′-NaV2O5

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                Author and article information

                Journal
                08 March 2000
                Article
                10.1143/JPSJ.69.2751
                cond-mat/0003141
                4de75aeb-4a85-44e8-a174-34616c209a79
                History
                Custom metadata
                J. Phys. Soc. Jpn. 69 (2000) 2751.
                4 pages, 5 eps figures, submitted to J. Phys. Soc. Jpn
                cond-mat.str-el

                Condensed matter
                Condensed matter

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