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

0384846 - FZÚ 2013 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR GA202/09/0430; GA ČR GAP204/10/0616
Výzkumný záměr: CEZ:AV0Z10100520
Klíčová slova: domain walls * Bloch domain walls * rhombohedral phase * phase-field approach * first-principles approach
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.767, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0214341