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• W2046284405 abstract "We investigate the effects of varying the interaction constants in a lattice-gas model for oxygen ordering in the high-temperature superconductor ${mathrm{YBa}}_{2}$${mathrm{Cu}}_{3}$${mathrm{O}}_{6+mathit{x}}$. A detailed ground-state calculation yields seven topologically distinct ground-state diagrams, which are realized for different values of the interactions. For interactions that produce the experimentally observed ordered phases, we present transfer-matrix finite-size scaling (TMFSS) results which, together with the gound-state diagram, can be used to approximate the global shape of the finite-temperature phase diagram. The effective oxygen-oxygen interactions in ${mathrm{YBa}}_{2}$Cu $_{3}mathrm{O}_{6+mathit{x}}$ are estimated by a nonlinear least-squares fit to newly available experimental data of the numerical lattice-gas phase diagram obtained by the TMFSS method with strip widths 8 and 12. An interesting feature of the fitted phase diagram is that a narrow region of the ortho-1/2 phase is found to extend between the tetragonal and ortho-1/4 phases at low oxygen concentration. The fitted interactions and the resulting phase diagram are compared with those recently obtained by Sterne and Wille, using the linear muffin-tin orbital method. We find the reasonable agreement achieved between the effective interactions predicted by these two fundamentally different methods highly encouraging." @default.
• W2046284405 created "2016-06-24" @default.
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• W2046284405 date "1992-07-01" @default.
• W2046284405 modified "2023-09-26" @default.
• W2046284405 title "Structural phase transitions and oxygen-oxygen interaction energies in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>YBa</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:…" @default.
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• W2046284405 doi "https://doi.org/10.1103/physrevb.46.381" @default.
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