Investigation of O and N Ordering in Perovskite-type Oxynitrides La1-xYxTa(O,N)3 on Long-range and Local Scale
Ta-based oxynitrides are an interesting class of materials for non-toxic inorganic pigments, dielectrics, and n-type semiconductor photoanodes for solar water splitting. In SrTaO2N and CaTaO2N a full and partial ordering of O and N to cis-TaO4N2 zig-zag-chains were observed by neutron diffraction (ND) and electron diffraction, respectively, having a huge impact on the resulting physical properties. Contrary to this, several experimental evidences have shown the absence of such an ordering. ND due to the 50 % scattering contrast between O and N and the strong contribution of light elements is ideally suited to analyze the presence of long-range ordering of O and N. Pair distribution function (PDF) analysis allows for an evaluation of the local environment up to several nm (mid-range). PDF analysis by neutrons is profiting from high intensity at high Q-range. We have synthesized novel Ta-based perovskite oxynitrides (La1-xYxTaO2N & La1-xYxTaON2) for a detailed study of the O/N ordering by just varying the O:N ratio, while keeping the cationic composition constant. Further, the effect of enhanced octahedral tilting on the O/N ordering will be studied through the Y-substituted samples.
Please note that you will need to login with your ILL credentials to download the data.
Download DataThe recommended format for citing this dataset in a research publication is in the following format:
WIDENMEYER Marc; BAEUCKER Christian Arno; BUBECK Cora Maren; CUELLO Gabriel; KUNKEL Sebastian; LINK Lukas; SCAVINI Marco; WEIDENKAFF Anke and Songhak Yoon. (2019). Investigation of O and N Ordering in Perovskite-type Oxynitrides La1-xYxTa(O,N)3 on Long-range and Local Scale. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-06-482
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.