Phonon anomalies and lattice dynamics in the superconducting oxychlorides Ca2−xCuO2Cl2
Matteo d’Astuto, Ikuya Yamada, Paola Giura, Lorenzo Paulatto, Andrea Gauzzi, Moritz Hoesch, Michael Krisch, Masaki Azuma, Mikio Takano
DOI 10.1103/PhysRevB.88.014522 · Physical Review B
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Abstract
We present a comprehensive study of the phonon dispersion in an underdoped, superconducting Ca2−xCuO2Cl2 crystal. We interpret the results using lattice dynamical calculations based on a shell model, and we compare the results to other hole-doped cuprates, in particular, to the ones isomorphic to La2−xSrxCuO4 (LSCO). We found that an anomalous dip in the Cu-O bond stretching dispersion develops in oxychlorides with a simultaneous marked broadening of the mode. The broadening is maximum at ≈[π/(2a)00], which corresponds to the charge-modulation propagation vector. Our analysis also suggests that screening effects in calculations may cause an apparent cosine-shaped bending of the Cu-O bond-stretching dispersion along both the (q 0 0) and (q q 0) directions, which is not observed on the data close to optimal doping. This observation suggests that the discrepancy between experimental data and ab initio calculations on this mode originates from an overestimation of the doping effects on the mode.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ca2-xCuO2Cl2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 33 | Pressure not reported | onset |
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