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  • International Union of Crystallography (IUCr)  (3)
  • 1
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 8 (2001), S. 186-190 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The parent compounds of high-temperature superconductors, such as YBa2Cu3O6 and La2CuO4, are strongly interacting electron systems, rendering them insulators with Mott–Hubbard gaps of a few electronvolts. Charge carriers (holes) are introduced by chemical doping, causing an insulator–metal (IM) transition and, at low temperatures, superconductivity. The role of dopants is widely seen as limited to the introduction of holes into the CuO2 planes (i.e. occupying electronic states derived from Cu 3d_{x^{2}-y^{2}} and O 2px,y atomic orbitals). Most theories of high-Tc superconductivity deal with pairing interactions between these planar holes. Local distortions around dopants are poorly understood, because of the experimental difficulty in obtaining such information, particularly at low doping. This has resulted in the neglect, in most theories, of the effect of such distortions on the chemical and electronic structure of high-Tc superconductors. Angular-resolved X-ray absorption fine structure (XAFS) spectroscopy on oriented samples is an ideal technique to elucidate the dopant distortions. Element specificity, together with a large orientation dependence of the XAFS signal in these layered structures, allows the local structure around dopants to be resolved. Results are presented here on (Sr, Ba) and Ni dopants, which substitute at the La and Cu sites, respectively, of insulating La2CuO4. The relevance of the measured local distortions for a complete understanding of the normal and superconducting properties of cuprates is discussed.
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  • 2
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 6 (1999), S. 755-757 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 49 (1993), S. 141-148 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A method is described for the refinement of modulated structures from a combined set of single-crystal and powder diffraction data or from powder data only. The method is especially useful when information on light atoms is to be obtained and no single crystals of suitable size for neutron diffraction are available. The program in which the method is encoded allows for differences in composition between the single-crystal and powder samples. Application to the incommensurately modulated superconductor Bi2Sr2CaCu2O8+y (2212) using powder neutron and single-crystal X-ray data confirms that the oxygen modulation in the Bi–O layer is saw-tooth-like, as observed in the preceding study based solely on X-ray data [Petricek, Gao, Lee & Coppens (1990). Phys. Rev. B, 42, 387–392], but with improved accuracy in the resulting parameters. The extra oxygen content is explicitly related to the modulation model and corresponds to 0.14–(4) per formula unit. With the refined site occupancies for the heavy atoms and the results of an anomalous-scattering study on the bismuth distribution [Coppens, Lee, Gao & Sheu (1991). J. Phys. Chem. Solids, 52, 1267–1272], a copper valency of 2.31 is obtained for the single-crystal sample. The powder value of 2.40 is somewhat less reliable as no anomalous-scattering data are available for the powder sample.
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