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

0552265 - FZÚ 2022 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA MŠMT(CZ) EF16_019/0000760
Grant ostatní: OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institucionální podpora: RVO:68378271
Klíčová slova: antiphase boundaries * polarity * Landau-Ginzburg free energy * layer groups
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 3.908, rok: 2021
Způsob publikování: Omezený přístup
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.
Trvalý link: http://hdl.handle.net/11104/0327403