Related papers: Atomic structure of initial nucleation layer in he…
We study cubic ferroelectrics films that become uniaxial with a polar axis perpendicular to the film because of a misfit strain due to a substrate. The main present result is the analytical account for the elastic anisotropy as well as the…
Atomic-scale precision epitaxy of perovskite oxide superlattices provides unique opportunities for controlling the correlated electronic structures, activating effective control knobs for intriguing functionalities including…
From extreme strain to bending, the possibilities in the manipulation of freestanding films of oxide perovskites bring a novel landscape to their properties and brings them one step closer to their application. It is therefore of great…
Motivated by the experimental synthesis of two-dimensional (2D) perovskite materials, we study the stability of 2D SrTiO$_3$ from first principles. We find that the TiO$_6$ octahedral rotations emerge in 2D SrTiO$_3$ with a rotation angle…
Hexagonal $AB$O$_3$ oxides ($A$, $B$ = cation) are a rich materials class for realizing novel quantum phenomena. Their hexagonal symmetry, oxygen trigonal bipyramid coordination and quasi-two dimensional layering give rise to properties…
Designing and understanding functional electronic and magnetic properties in perovskite oxides requires controlling and tuning the underlying crystal lattice. Here we report the structure, including oxygen and cation positions, of a…
Thin films of (1-x)BiFeO<sub>3</sub>-xPbTiO<sub>3</sub> (BF-xPT) with x ~ 0.60 were fabricated on Pt/Si substrates by chemical solution deposition of precursor BF and PT layers alternately in three different multilayer configurations. These…
Determining the 3-dimensional crystallography of a material with sub-nanometre resolution is essential to understanding strain effects in epitaxial thin films. A new scanning transmission electron microscopy imaging technique is…
Surface morphology of the substrate and bottom layers plays a critical role in the epitaxial growth of oxide thin films. Here, we report on the self-organized formation of a step-terrace structure in SrRuO3 (SRO) thin films grown using…
Delafossites, comprised of noble metal (A+) and strongly correlated sublayers (BO2-), form natural superlattices with highly anisotropic properties. These properties hold significant promise for various applications, but their exploitation…
The layered oxychalcogenide semiconductor Bi$_2$O$_2$Se (BOS) hosts a multitude of unusual properties including high electron mobility. Owing to similar crystal symmetry and lattice constants, the perovskite oxide SrTiO$_3$ (STO) has been…
Polar skyrmions are topologically stable, swirling polarization textures with particle-like characteristics, which hold promise for next-generation, nanoscale logic and memory. While understanding of how to create ordered polar skyrmion…
Heterostructures of transition metal oxides (TMO) perovskites represent an ideal platform to explore exotic phenomena involving the complex interplay between the spin, charge, orbital and lattice degrees of freedom available in these…
Unlike widely explored complex oxide heterostructures grown along [001], the study of [111]-oriented heterointerfaces are very limited thus far. One of the main challenges is to overcome the polar discontinuity that hinders the epitaxy of…
Elemental defects in transition metal oxides is an important and intriguing subject that result in modifications in variety of physical properties including atomic and electronic structure, optical and magnetic properties. Understanding the…
We have performed detailed first-principles calculations to determine the eigenvectors of the zone-center modes of hexagonal BaTiO3 and shown that the experimentally relevant low-energy modes (including the non-polar instability) can be…
We present the results of first-principles calculations on two possible terminations of the (001) surfaces of SrTiO3 (STO), BaTiO3 (BTO), and PbTiO3 (PTO) perovskite crystals. Atomic structure and the electronic configurations were…
Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…
Transport properties have been studied for a perovskite heterojunction consisting of SrRuO$_{3}$ (SRO) film epitaxially grown on SrTi$_{0.99}$Nb$_{0.01}$O$_{3}$ (Nb:STO) substrate. The SRO/Nb:STO interface exhibits rectifying…
We report the first observation of coherent surface states on cubic perovskite oxide SrVO3(001) thin films through spectroscopic imaging scanning tunneling microscopy. A direct link between the observed atomic-scale interference patterns…