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@ARTICLE{Wang:201545,
author = {Wang, Dawei and Salje, Ekhard K. H. and Mi, Shao-Bo and
Jia, Chun-Lin and Bellaiche, L.},
title = {{M}ultidomains made of different structural phases in
multiferroic {B}i{F}e{O} 3 : {A} first-principles-based
study},
journal = {Physical review / B},
volume = {88},
number = {13},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {FZJ-2015-03839},
pages = {134107},
year = {2013},
abstract = {An effective Hamiltonian scheme is used to reveal the
properties of a multidomain structure in BiFeO3 consisting
of alternating domains that are initially made of two
phases, namely, R3c (ferroelectric with antiphase oxygen
octahedral tilting) versus Pnma (antiferroelectric with
in-phase and antiphase oxygen octahedral tiltings). These
two types of domains dramatically modify their properties as
a result of their cohabitation. The weak ferromagnetic
vector and polarization rotate, and significantly change
their magnitude, in the R3c-like region, while the Pnma-like
region becomes polar along the direction of domain
propagation. Moreover, the domain walls possess distinct
polar and oxygen octahedral tilting patterns that facilitate
the transition between these two regions. The studied
multidomain is also predicted to exhibit other anomalous
properties, such as its strain adopting several plateaus and
steps when increasing the magnitude of an applied electric
field.},
cin = {PGI-5},
ddc = {530},
cid = {I:(DE-Juel1)PGI-5-20110106},
pnm = {424 - Exploratory materials and phenomena (POF2-424)},
pid = {G:(DE-HGF)POF2-424},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000326085900002},
doi = {10.1103/PhysRevB.88.134107},
url = {https://juser.fz-juelich.de/record/201545},
}