Estimation of non-stoichiometric oxygen content of YBa2Cu3O7−δ superconductors using XRD simulation

Abstract

We present a method to possibly determine oxygen content in YBCO using XRD simulation. The simulated XRD intensity peaks of YBa₂Cu₃O₆and YBa₂Cu₃O₇were compared to their respective powder diffraction file (PDF) from the International Center for Diffraction Data (ICDD). The simulator differs <1% relative to the diffraction angle and the interplanar spacing. The (013) plane is present in both YBCO situated at diffraction angle (2θ) ∼32.50°. The absolute intensity of the plane (013) in YBa₂Cu₃O₇is half of the absolute intensity in YBa₂Cu₃O₆. This is because YBa₂Cu₃O₇ is orthorhombic, (013) and (103) splits, hence the reduction in intensity of (013) compared to YBa2Cu3O₆. Since the plane (110) is not present in the ICDD data of YBa₂Cu₃O₇ (110) could be overlooked due to overlap with (103). The (110) peak is present in both XRD patterns of YBCO, but it is shifted minimally towards the (103) peak in YBa₂Cu₃O₇. The same scenario was observed from (213) and (116) planes. YBa₂Cu₃O₆ has peaks for the (116) and (213) planes. In YBa₂Cu₃O₇, the ICDD pattern reports peaks at (123) and (213); however, the simulation suggested double peaks at 58.11°−58.25° of the (116) and the (123) planes. Estimations of oxygen content with descriptions of the XRD were presented.