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Título: | Direct observation of apical oxygen vacancies in the high-temperature superconductor YBa2Cu3O7−x |
Autor: | Hartman, Steven T.; Mundet, Bernat CSIC ORCID; Idrobo, Juan Carlos; Obradors, Xavier CSIC ORCID; Puig Molina, Teresa CSIC ORCID ; Gázquez, Jaume CSIC ORCID; Mishra, Rohan | Fecha de publicación: | 22-nov-2019 | Resumen: | The properties of the high-temperature superconductor YB a 2 C u 3 O 7 − x (YBCO) depend on the concentration of oxygen vacancies ( V O ). It is generally agreed upon that V O form in the CuO chains, even at low concentrations where the critical temperature for superconductivity peaks ( x ≈ 0.07 ), with only a handful of reports suggesting the presence of V O at the apical sites. In this paper, we show direct evidence of apical V O in optimally doped YBCO samples. Using density-functional-theory calculations, we predict that isolated V O are equally favorable to form in either the CuO chains or the apical sites, which we confirm using atomic-resolution scanning transmission electron microscope imaging and spectroscopy. We further show that apical V O lead to significant lattice distortions and changes in the electronic structure of YBCO, indicating they should be considered on an equal footing with chain V O to understand the superconducting properties of YBCO in the optimal doping region. | Versión del editor: | http://dx.doi.org/10.1103/PhysRevMaterials.3.114806 | URI: | http://hdl.handle.net/10261/203678 |
Aparece en las colecciones: | (ICMAB) Artículos |
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