A-Site Cation Disorder in SrxBa1-xNb2O6 (x = 0.25, 0.33, 0.50, 0.61) Studied by High-Resolution Resonant X-ray Powder Diffraction

• Published in: ACS omega Vol. 8; no. 40; pp. 37592 - 37599
• Main Authors: Grendal, Ola G, Fitch, Andrew N, Aamlid, Solveig S
• Format: Journal Article
• Language: English
• Published: American Chemical Society 10.10.2023
• ISSN: 2470-1343
• DOI: 10.1021/acsomega.3c06500

The dielectric and ferroelectric properties of Sr x Ba 1– x Nb 2 O 6 (SBN, 0.2 < x < 0.8) are known to be affected by the Sr fraction and can be further controlled by various quenching schemes. Changes in A-site cation configuration are believed to be linked to these changes in properties. In this work, we study the A-site cation disorder in SBN by the use of high-resolution resonant X-ray powder diffraction. The experimental results show that the larger Ba 2+ is found exclusively on the larger A2 site, while Sr 2+ is found on both the A1 and A2 sites, with an increasing amount on A2 with an increasing Sr fraction. At elevated temperatures, a small migration of Sr 2+ from A1 to A2 is observed for SBN50 and SBN61. Linking this change in occupancies to changes in the average cation size on the A1 and A2 sites allows for rationalization of the property changes observed for quenched samples. Furthermore, SBN25 is shown to deviate from the tetragonal P 4 bm structure and is found to be orthorhombic with a Cmm 2 structure.