Oxygen ordering in the high-Tc superconductor HgBa2CaCu2O6+δ as revealed by perturbed angular correlation
T. M. Mendonça, J. G. Correia, H. Haas, P. Odier, P. B. Tavares, M. R. da Silva, A. M. L. Lopes, A. M. Pereira, J. N. Gonçalves, J. S. Amaral, C. Darie, J. P. Araujo
DOI 10.1103/PhysRevB.84.094524 · Physical Review B
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Abstract
Lattice sites and collective ordering of oxygen atoms in HgBa2CaCu2O6+δ were studied using the perturbed angular correlation (PAC) technique at ISOLDE/CERN. The electric field gradients (EFG) at 199mHg nuclei have been measured as functions of oxygen doping on the Hg planes, above and below Tc. In comparison with the results obtained for oxygen and fluorine doping in Hg-1201, the analysis shows a different oxygen ordering exhibited by Hg-1212. Moreover, for all studied cases, the experimental results show that at a local scale there is non uniform oxygen distribution. A series of ab initio EFG calculations allowed to infer that at low concentrations, regions without oxygen coexist with regions where O2δ dumbbell molecules are located at the center of the Hg mesh. On the other side, at high concentrations, O2δ dumbbell molecules coexist with single Oδ atoms occupying the center of the Hg mesh. The present results suggest that oxygen sits on the Hg planes in the form of a molecule and not as a single atom.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| HgBa2CaCu2O6+δ Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 128 | Pressure not reported | onset |
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