Abstract
The accurate crystal structure of BaTi2O5 ferroelectric has been derived at the charge density levels from 100 to 900 K in both the paraelectric and ferroelectric phases. High-energy synchrotron-radiation powder-diffraction data were taken and analyzed by the maximum entropy method (MEM)/Rietveld method. Three independent Ti–O6 octahedra in the structure of BaTi2O5 are distorted, two of which can be regarded as having five-oxygen coordination in both phases. The structural change associated with the ferroelectric phase transition is characterized by the occurrence of extra distortion in Ti1–O6, which is the least distorted octahedron above TC. The spontaneous polarization calculated from the determined crystal structure is Ps = 15 µC/cm2 at room temperature. The contribution of the distortion of Ti1–O6 to Ps is about 80%.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
