  A first-principles-derived method is used to study the morphology and
electric-field-induced evolution of stripe nanodomains in (001) BaTiO3 (BTO)
ultrathin films, and to compare them with those in (001) Pb(Zr,Ti)O3 (PZT)
ultrathin films. The BaTiO3 systems exhibit 180o periodic stripe domains at
null electric field, as in PZT ultrathin films. However, the stripes alternate
along [1-10] in BTO systems versus [010] in PZT systems, and no in-plane
surface dipoles occur in BTO ultrathin films (unlike in PZT materials).
Moreover, the evolution of the 180o stripe domains in the BaTiO3 systems, when
applying and increasing an electric field along [001], involves four regions:
Region I for which the magnitude of the down dipoles (i.e., those that are
antiparallel to the electric field) is reduced, while the domain walls do not
move; Region II in which some local down dipoles adjacent to domain walls
switch their direction, resulting in zigzagged domain walls - with the overall
stripe periodicity being unchanged; Region III in which nanobubbles are
created, then contract along [110] and finally collapse; and Region IV which is
associated with a single monodomain. Such evolution differs from that of PZT
ultrathin films for which neither Region I nor zigzagged domain walls exist,
and for which the bubbles contract along [100]. Discussion about such
differences is provided.
