Lattice instabilities, isotope effect, and high-Tc superconductivity in La2−xBaxCuO4
W. E. Pickett, R. E. Cohen, H. Krakauer
DOI 10.1103/PhysRevLett.67.228 · Physical Review Letters
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Abstract
Unlike La2−xSrxCuO4, La2−xBaxCuO4, x∼xcr=0.12, undergoes a structural change to a low-temperature tetragonal (LTT) phase below 60 K, and this transformation is known to suppress Tc drastically. We present self-consistent local-density-functional calculations for this system that indicate the CuO6 octahedrons are unstable to an X-point tilt in any direction, thereby leading to strongly anharmonic X-point vibrations. The LTT phase is most favored energetically, consistent with experiment. The effect of the LTT distortion on the electronic structure accounts for the suppression of Tc in the LTT phase, and for the enhanced isotope effect at x=xcr.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| La2-xBaxCuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| La2-xSrxCuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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