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Optic breathing mode, resonant charge fluctuations, and high-Tc superconductivity in the layered perovskites

C. L. Fu, A. J. Freeman

DOI 10.1103/PhysRevB.35.8861 · Physical Review B

T1

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Abstract

Frozen-phonon optical breathing mode calclations on La2−xMxCuO4 (M=Ba,Sr,. . .) demonstrate the following: (i) a large (≤3 eV/Å) electron-phonon interaction matrix element for the &—O px,y orbitals, (ii) a high frequency (∼110 meV), and (iii) large charge fluctuations (≃0.3 electrons). Especially significant is the possible resonant coupling to, and enhancement of, the natural ground-state Cu2+-Cu3+ charge fluctuations between in-plane Cu atoms. The relation of these results to the high Tc (and previous theoretical descriptions of superconductivity) is indicated.

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FormulaReported Tc (K)Pressure (GPa)Type
La2-xMxCuO4

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40Pressure not reportedunknown

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