Bloch-type domain walls in rhombohedral BaTiO.sub.3./sub..

0384846 - FZÚ 2013 RIV US eng J - Journal Article
Taherinejad, M. - Vanderbilt, D. - Márton, Pavel - Stepkova, Vilgelmina - Hlinka, Jiří
Bloch-type domain walls in rhombohedral BaTiO₃.
Physical Review. B. Roč. 86, č. 15 (2012), "155138-1"-"155138-8". ISSN 1098-0121
R&D Projects: GA ČR GA202/09/0430; GA ČR GAP204/10/0616
Institutional research plan: CEZ:AV0Z10100520
Keywords : domain walls * Bloch domain walls * rhombohedral phase * phase-field approach * first-principles approach
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.767, year: 2012
http://prb.aps.org/abstract/PRB/v86/i15/e155138

Different types of domain walls in the rhombohedral phase of the ferroelectric BaTiO3 are investigated using combination of first-principles calculations and phase-field simulations. Existence of Bloch-type domain walls, earlier predicted by the phenomenological approach, is confirmed from the first principles. Moreover, relatively good quantitative agreement of polarization profile across the interface obtained by both methodologies is observed.
Permanent Link: http://hdl.handle.net/11104/0214341