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• W2074657111 abstract "Recent results obtained by neutron diffraction measurements for x ∼ 3/8 do not support the existence of any superstructure (SS) composed of parallel full and empty CuO chains, as predicted by several models for O ordering. Assuming a screened Coulomb interaction between any two O ions of the basal plane, we looked for the SS of the lowest free energy. We obtained a SS that, compared with the one proposed in the experimental work, fits the observed intensities much better. If the reduction of the repulsion between those second-neighbour O atoms with a Cu atom in between due to charge-transfer effects is included, all diffraction patterns that have been observed so far (x ∼ 1/8, 1/2, 3/8, 4/7, 3/5, 5/8, 2/3, 3/4 and 7/8) can be explained." @default.
• W2074657111 created "2016-06-24" @default.
• W2074657111 creator A5065468978 @default.
• W2074657111 date "1992-02-14" @default.
• W2074657111 modified "2023-09-27" @default.
• W2074657111 title "Atomic Structure of YBa ₂ Cu ₃ O _{6+ <i>x</i>} Determined by Coulomb Repulsion" @default.
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• W2074657111 doi "https://doi.org/10.1209/0295-5075/18/2/016" @default.
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