Related papers: 90-degree Ferroelectric Domains in PbTiO3: Experim…
We have investigated the atomistic structure of the 180-degree and 90-degree domain boundaries in the ferroelectric perovskite compound PbTiO3 using a first-principles ultrasoft-pseudopotential approach. For each case we have computed the…
A thermodynamic theory is developed for dense laminar domain structures in epitaxial ferrolectric films. It is found that, at some critical misfit strain between the film and substrate, the 90 degrees c/a/c/a domain structure becomes…
Freestanding BaTiO3 nanodots exhibit domain structures characterized by distinct quadrants of ferroelastic 90{\deg} domains in transmission electron microscopy (TEM) observations. These differ significantly from flux-closure domain patterns…
We study the complex ferroelastic/ferroelectric domain structure in the prototypical ferroelectric PbTiO3 epitaxially strained on (110)o-oriented DyScO3 substrates, using a combination of atomic force microscopy, laboratory and synchrotron…
Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. Here we use molecular dynamic simulations to study the domain wall stability in the prototypical…
Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…
In this letter we obtain the finite-temperature structure of 180^o domain walls in PbTiO3 using a quasi-harmonic lattice dynamics approach. We obtain the temperature dependence of the atomic structure of domain walls from 0K up to room…
The origin of the unusual 90^o ferroelectric / ferroelastic domains, consistently observed in recent studies on meso and nanoscale free-standing single crystals of BaTiO3 [Schilling et al., Physical Review B, 74, 024115 (2006); Schilling et…
Domain structures of 320 nm thin epitaxial films of ferroelectric PbTiO3 grown by MOCVD technique in identical conditions on SmScO3 and TbScO3 perovskite sub- strates have been investigated by Raman spectroscopy and piezoresponse force…
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.…
This paper reports on the temperature evolution of local elastic interactions between ferromagnetic CoFe films and ferroelectric BaTiO3 substrates. Polarization microscopy measurements indicate that growth-induced stripe domains in the CoFe…
We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO$_3$ between two metallic SrRuO$_3$ electrodes in short circuit. The…
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…
There is growing evidence that domain walls in ferroics can possess emergent properties that are absent in bulk materials. For example, 180 domain walls in the ferroelectric-antiferromagnetic BiFeO3 are particularly interesting because they…
We report first-principles calculations, within the density functional theory, on the structural and energetic properties of 180$^\circ$ stripe domains in (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. For the explored periodicities…
The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…
SrTiO$_{3}$ is known to be an incipient ferroelectric. It is thought that ferroelectric stability in SrTiO$_{3}$ is suppressed by a delicate competition with quantum fluctuation and antiferrodistortion. The ferroelectric phase can, however,…
Strain and domain engineering offer powerful routes to control phase and domain stability in ferroelectric thin films. While most studies have focused on (100)-oriented growth, the impact of lower-symmetry orientations remains…
The structural evolution of a polydomain ferroelectric Pb(Zr0.2Ti0.8)O3 film was studied by temperature dependent X-ray diffraction. Two critical temperatures were evidenced: T*=740K, corresponding to a change in the domain structure…
We report on the electric field response of 180 degree nanodomain walls in BaTiO$_3$ using in situ electrical biasing in transmission electron microscopy (TEM). The sample is biased on a micro-device designed for reliable testing whose key…