Related papers: Predicting polarization enhancement in multicompon…
First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO$_3$, with particular focus on the stabilization of a ferroelectric phase related to a polar instability…
Interface structure at polar/non-polar interfaces has been shown to be a key factor in controlling emergent behavior in oxide heterostructures, including the LaFeO$_3$/$\textit{n}$-SrTiO$_3$ system. We demonstrate via high energy resolution…
Two-dimensional electron gas due to semiconductor interfaces can have high mobility and exhibits superconductivity, magnetism, and other exotic properties that are unexpected in constituent bulk materials. We study crystal structures,…
Ferroelectric vortices formed through complex lattice-charge interactions have great potential in applications for future nanoelectronics such as memories. For practical applications, it is crucial to manipulate these topological states…
The metastability of the polar phase in HfO2, despite its excellent compatibility with the complementary metal-oxide-semiconductor process, remains a key obstacle for its industrial applications. Traditional stabilization approaches, such…
Almost all oxide two-dimensional electron gases are formed in SrTiO$_3$-based heterostructures and the study of non-SrTiO$_3$ systems is extremely rare. Here, we report the realization of a two-dimensional electron gas in a CaTiO$_3$-based…
In ferroelectrics, complex interactions among various degrees of freedom enable the condensation of topologically protected polarization textures. Known as ferroelectric solitons, these particle-like structures represent a new class of…
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…
The paper contains an application of lattice model to ferroelectric solid solutions. Short-range parts of interatomic potentials are taken into account by means the lattice structure introduction. Long-range parts are considered in…
Twisting two atomic layers produces a geometric moire pattern, but bonding-induced interfacial reconstruction fundamentally transforms this into an ordered dislocation network - a distinction obscured in weakly-bonded van der Waals systems.…
A combined analysis of x-ray absorption and resonant reflectivity data was used to obtain the orbital polarization profiles of superlattices composed of four-unit-cell-thick layers of metallic LaNiO3 and layers of insulating RXO3 (R=La, Gd,…
Polar dielectrics are a promising platform for mid-infrared nanophotonics, allowing for nanoscale electromagnetic energy confinement in oscillations of the crystal lattice. We recently demonstrated that in nanoscopic polar systems a local…
The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…
By employing first-principles electronic structure calculations we investigate nickelate superlattices [LaNiO$_3$]$_1$/[LaAlO$_3$]$_1$ and [LaNiO$_3$]$_1$/[SrTiO$_3$]$_1$ with (001) orientation under epitaxial tensile strain. Within density…
Heterostructure engineering provides an efficient way to obtain several unconventional phases of LaNiO3, which is otherwise paramagnetic, metallic in bulk form. In this work, a new class of short periodic superlattices, consisting of LaNiO3…
BaTiO3 is a model ferroelectric perovskite whose properties are highly sensitive to local structure, defect chemistry, and dopant distribution. However, conventional diffraction mainly probes the average lattice and can miss subtle changes…
SrTiO$_3$ is a superconducting semiconductor with a pairing mechanism that is not well understood. SrTiO$_3$ undergoes a ferroelastic transition at $T=$ 105 K, leading to the formation of domains with boundaries that can couple to…
We investigate the lattice structure of heterostructures comprising of ferroelectric BaTiO$_3$ (BTO) thin films and BaBiO$_3$ (BBO), the insulating parent-compound of the high Tc superconductor. Motivated by theoretical predictions of…
A series of epitaxial (LaVO3)6m(SrVO3)m superlattices having the same nominal composition as La6/7Sr1/7VO3, a Mott-Hubbard insulator, were grown with pulsed-laser deposition on [001]-oriented SrTiO3 substrates, and their superlattice period…
Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…