Related papers: Structural phases of strained LaAlO3 driven by oct…
Epitaxial BiFeO3/SrRuO3 superlattices have been grown by pulsed laser deposition on a (001) oriented LaAlO3 substrate and probed by X-ray diffraction and Raman spectroscopy. To investigate the structural competition between rhombohedral…
The sequence of ground states for SrTiO3 film subjected to epitaxial strain as well as to mechanical stress along the [001] and [110] axes is calculated from first principles within the density functional theory. Under the fixed-strain…
Epitaxial strain offers an effective route to tune the physical parameters in transition metal oxides. So far, most studies have focused on the effects of strain on the bandwidths and crystal field splitting, but recent experimental and…
We evaluate the interplay between epitaxial strain and oxygen vacancy formation in the perovskite-structure oxide lanthanum aluminate, LaAlO$_3$. Using density functional theory within the GGA$+U$ approximation we calculate the dependence…
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…
We report the pressure dependence of perovskite distortions in rare-earth (R) orthochromites (RCrO3) probed using Raman scattering in order to investigate the origin of structural transition from orthorhombic Pnma to rhombohedral R-3C phase…
A theoretically supported experimental study of the (1-x)LaFeO3.xLaMnO3 (LFO-LMO) solid solution is being reported for the first time which reveals a phase transformation from the Pbnm and R3-c phase at a chemical composition of x=0.625.…
The effects of octahedral tilting of RbANb2O7 (A = Bi, Nd) compounds was studied using density-functional theory. In this compound, the structural phase transition was correlated with two octahedral tilting modes (a-a-c0 tilting and a0a0c+…
The rotation of octahedra (octahedral tilting) is common in ABO3 perovskites and relevant to many physical phenomena, ranging from electronic and magnetic properties, metal-insulator transitions to improper ferroelectricity. Hydrostatic…
Among the interfacial transport modulations to the LaAlO3/SrTiO3 (LAO/STO) heterostructure, mechanical strain has been proven to be an effective approach by growing the LAO/STO films on different substrates with varying lattice mismatches…
The epitaxial strain effects on the magnetic ground state of YTiO$_3$ films grown on LaAlO$_3$ substrates have been studied using the first-principles density-functional theory. With the in-plane compressive strain induced by LaAlO$_3$…
NiO6-octahedral tilts in ultrathin LaNiO3 films were studied using position averaged convergent beam electron diffraction (PACBED) in scanning transmission electron microscopy. Both the type and magnitude of the octahedral tilts were…
The effect of epitaxial strain on structural, magnetic and electronic properties of BaFeO 3 per- ovskite oxide are investigated from first principles calculations, using the Density Functional The- ory (DFT) plus the Hubbard approach…
Recently a metallic state was discovered at the interface between insulating oxides, most notably LaAlO3 and SrTiO3. Properties of this two-dimensional electron gas (2DEG) have attracted significant interest due to its potential…
Effect of biaxial tensile strains on optical functions and band edge transitions of ultra thin epitaxial films was studied using as an example a 13 nm thick SrTiO3 films deposited on KTaO3(100) single-crystal substrates. Optical functions…
Ba$_2$IrO$_4$ has been refined in the tetragonal $I4/mmm$ phase without octahedral rotations, and its physical properties have been interpreted in this high-symmetry structure. However, the dynamical stability of this undistorted phase has…
Epitaxial strain imposed in complex oxide thin films by heteroepitaxy is recognized as a powerful tool for identifying new properties and exploring the vast potential of materials performance. A particular example is LaCoO3, a zero spin,…
The limitation of commercially available single-crystal substrates and the lack of continuous strain tunability preclude the ability to take full advantage of strain engineering for further exploring novel properties and exhaustively…
Multiferroic BiFeO3 epitaxial films with thickness ranging from 40 nm to 960 nm were grown by pulsed laser deposition on SrTiO3 (001) substrates with SrRuO3 bottom electrodes. X-ray characterization shows that the structure evolves from…
The anisotropic optical properties of multiferroic BiFeO$_3$ thin films have been determined with Mueller matrix ellipsometry at room-temperature. The full dielectric tensors of tetragonal-like and rhombohedral-like BiFeO$_3$ phases…