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- W2079711531 abstract "We study the ground state and weakly excited oxygen superstructures of RBA2Cu3O6+x, where R=Y or a rare earth, using a model lattice gas Hamiltonian introduced earlier by the authors. This model assumes that any two O ions of the CuOx planes repel each other with a screened Coulomb interaction, but the repulsion between second-neighbour O ions with a Cu ion in between is reduced by a factor f. The value of f was calculated using the extended Hubbard Hamiltonian in the strong-coupling limit. For large screening length λ, R=Y and x=38 the predictions of the model are in excellent agreement with recent neutron measurements. Assuming that λ decreases strongly in the metallic phase, all previously observed diffraction patterns for R=Y can also be explained (x=18, 12, 47, 35, 58, 23, 34 and 78). We conclude that CuO chains can be observed almost exclusively in the metallic phase and predict superstructures that should be observed in semiconducting materials, in particular when x≥12 and the ionic radius of R3+ is larger than that of Y3+." @default.
- W2079711531 created "2016-06-24" @default.
- W2079711531 creator A5000498483 @default.
- W2079711531 creator A5001263318 @default.
- W2079711531 creator A5065468978 @default.
- W2079711531 date "1992-01-01" @default.
- W2079711531 modified "2023-10-05" @default.
- W2079711531 title "Oxygen superstructures in semiconducting RBa2Cu3O6+x" @default.
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