Discretisation originated Peierls–Nabarro barriers in simulations of ferroelectrics

0495499 - FZÚ 2019 RIV GB eng J - Journal Article
Márton, Pavel
Discretisation originated Peierls–Nabarro barriers in simulations of ferroelectrics.
Phase Transitions. Roč. 91, 9-10 (2018), s. 959-968. ISSN 0141-1594. E-ISSN 1029-0338
Institutional support: RVO:68378271
Keywords : ferroelectrics * domain walls * Peierls–Nabarro barrier * Ginzburg-Landau-Devonshire model * phase-field simulations * BaTiO₃
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.026, year: 2018

We have analysed domain-wall-motion-related energy barriers, which originate from the regular discretisation grid utilised in phase-field simulations of ferroelectric materials. We develop three approaches to determine the barrier height, and we demonstrate these on a specific model of BaTiO 3 . All lead to comparable results. Finally, we show that the barrier properties for both 180◦ and 90◦ domain walls depend on the size of the discretisation step and the distance between the domain walls.
Permanent Link: http://hdl.handle.net/11104/0289783