By John B. Goodenough, S.L. Cooper, T. Egami, J.B. Goodenough, J.-S. Zhou
Chemistry textual content thinking about the localized to itinerant digital transition in pervoskite oxides. Covers common issues, in addition to delivery houses, neighborhood atomic constitution of CMR manganites and similar oxides, and different appropriate issues.
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Extra info for Localized to Itinerant Electronic Transition in Perovskite Oxides
3 should, at least in this case, replace the conventional Mott±Hubbard model; U/Uc is the critical condition for the opening of an energy gap Eg = (U ) W), and the Mott±Hubbard model is modi®ed by the introduction of a two-phase region at the approach to U = Uc. B. -S. Zhou Fig. 3. Schematic variation of a normalized effective mass vs normalized Hubbard energy U for a mass-enhanced metal; after  for a strongly correlated, globally homogenous system of electronic quasiparticles. This ratio is plotted in Fig.
1 Single-Valent 3d-Block Perovskites Table 1 summarizes the localized vs itinerant character of the 3dn con®gurations of single-valent AMO3 perovskites with 3d-block transition-metal atoms M. Con®gurations tn and em refer to localized electrons, pÃ n and rÃ m to itinerant electrons in narrow antibonding bands of t-orbital or e-orbital parentage. In the perovskite structure, deviation from unity of the tolerance factor p t AAO= 2 MAO 1 is a measure of the mismatch of the equilibrium (AAO) and (MAO) bond lengths.
2. Photoemission and inverse-photoemission spectra of SrVO3 and CaVO3 in the V-3d band region compared with an LDA band-structure calculation by Takegahara K (1994) J Electron Spectrosc Relat Phenon 66: 303; after  Hubbard picture of a smooth, global opening of an energy gap as the bandwidth of a single-valent system narrows from that of a Pauli-paramagnetic metal to that of a Curie±Weiss magnetic insulator. The PES data clearly show that, in the absence of an itinerant-electron antiferromagnetic SDW and the opening of an energy gap Eg = (Up ) Wp) as found in LaTiO3, there can be a dynamic segregation into localized-electron con®gurations within a matrix containing itinerant electrons as a result of short-range-cooperative oxygen displacements.