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Test of first-principle calculations of charge transfer and electron-hole distribution in oxide superconductors by precise measurements of structure factors

Lijun Wu, Yimei Zhu, J. Tafto

DOI 10.1103/PhysRevB.59.6035 · Physical Review B

T1

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Abstract

We use an approach in electron diffraction, based on quantitative analysis of diffraction intensity of many reflections as a function of sample thickness, to determine Fourier components of the electron distribution in crystals. For short reciprocal vectors our measured accuracy of the Fourier components is, to our knowledge, far beyond previous achievements. This technique is used to study charge transfer and electron-hole distributions in the high-temperature superconductors Bi2Sr2CaCu2O8+δ and YBa2Cu3O7. Our experimental results agree well with electronic structure calculations.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Bi2Sr2CaCu2O8+δ

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—Pressure not reportedunknown
YBa2Cu3O7

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

—Pressure not reportedunknown
Bi2Sr2CaCu2O8

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

—Pressure not reportedunknown

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