Orthorhombic Crystal Structure and Oxygen Deficient Cluster Distribution Model for YBa 2 Cu 3− X Al X O 6+ Δ Superconductor

Single crystal x-ray diffraction measurements on both as-grown as well as oxygenated single crystals of an aluminium doped high temperature superconductor YBa 2 Cu 3− x Al x O 6+ δ revealed the crystal structure to be orthorhombic with space group Pmmm, in contrast to, tetragonal crystal structures corresponding to space group P4/mmm, previously reported for as-grown YBa 2 Cu 3− x Al x O 6+ δ , and conflicting structures on oxygenated YBa 2 Cu 3− x Al x O 6+ δ . The orthorhombic crystal structure was confirmed by powder x-ray diffraction that showed the presence of two peaks corresponding to (020) and (200) reflections associated with orthorhombic structures of space group Pmmm, instead of a single (200) reflection corresponding to tetragonal crystal structures with space group P4/mmm. All the as-grown crystals were found to be superconducting. An oxygen-vacancy cluster distribution model is proposed to explain the differences in the obtained magnetisation hysteresis loop and the broad superconducting transition temperature. The model proposes the existence of two oxygen deficient clusters of (Al-..-Cu-O-Cu) n and (Cu-O-Cu-..) n juxtaposed with each other whose number and size vary as the as-grown single crystals of YBa 2 Cu 3− x Al x O 6+ δ are subjected to oxygenation. X-ray photoelectron spectroscopy measurements showed the existence of two distinct peaks in each of the spectrum of O, Cu, Y and Ba in YBa 2 Cu 3− x Al x O 6+ δ crystals corresponding to the two different types of clusters. The relative intensities of each XPS peak was found to decrease in the oxygenated crystals as compared to the as-grown ones confirming the change in the number and size of clusters in the as-grown crystals after oxygenation.