Symmetry and polarity of antiphase boundaries in PbZrO.sub.3./sub.

0552265 - FZÚ 2022 RIV US eng J - Journal Article
Rychetský, Ivan - Schranz, W. - Tröster, A.
Symmetry and polarity of antiphase boundaries in PbZrO₃.
Physical Review B. Roč. 104, č. 22 (2021), č. článku 224107. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : antiphase boundaries * polarity * Landau-Ginzburg free energy * layer groups
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.908, year: 2021
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevB.104.224107

The polar properties of antiphase boundaries (APBs) in PbZrO3 are analyzed in detail using a recently developed layer group approach in order parameter (OP) space and compared with the results from Landau-Ginzburg free energy description. It is shown that the former approach reveals the properties of the microscopic APBs and predicts polar APB structures at particular positions inside the unit cell, which agree very well with recent experimental observations. The systematic usage of the method is developed. In contrast with it, the commonly used free energy description obscures the microscopic features but still can reflect the macroscopic properties of the APBs by considering the bilinear coupling of polarization and OP gradients.
Permanent Link: http://hdl.handle.net/11104/0327403