Related papers: Metastability effects in strained and stressed SrT…
The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure,…
The behavior of PbTiO$_3$ under uniaxial strains and stresses is investigated from first-principles calculations within density functional theory. We show that irrespectively of the uniaxial mechanical constraint applied, the system keeps a…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO$_3$ ultra-thin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…
TbMnO$_{3}$ films have been grown under compressive strain on (001)-oriented SrTiO$_{3}$ crystals. They have an orthorhombic structure and display the (001) orientation. With increasing thickness, the structure evolves from a more symmetric…
Magnetic multilayers of $(SrRuO_3)_m(SrMnO_3)_n$ were grown artificially using the pulsed laser deposition technique on (001)-oriented $SrTiO_3$ substrates. The state of strain at the interfaces and the structural coherency are studied in…
The influence of the flexoelectric and rotostriction coupling on the phase diagrams of ferroelastic-quantum paraelectric SrTiO3 films was studied using Landau-Ginzburg-Devonshire (LGD) theory. The phase diagrams in coordinates temperature -…
A uniform one-unit-cell-high step on the SrTiO3 substrate is a prerequisite for growing high-quality epitaxial oxide heterostructures. However, it is inevitable that defects induced by mixed substrate surface termination exist at the…
We investigate the effect of epitaxial strain on [001]-oriented LaAlO3 using first-principles density functional calculations. We find a series of structural phase transitions between states characterized by distinct patterns of tilting of…
Motivated by the recently observed unconventional Hall effect in ultra-thin films of ferromagnetic SrRuO$_3$ (SRO) we investigate the effect of strain-induced oxygen octahedral distortion in the electronic structure and anomalous Hall…
In order to analyse the effect of strain on the magnetic properties of narrow-band manganites, the temperature and field dependent susceptibilities of about 8.5 nm thick epitaxial Pr0.7Ca0.3MnO3 films, respectively grown on (001) and (110)…
Fluctuating orders in solids are generally considered high-temperature precursors of broken symmetry phases. However, in some cases these fluctuations persist to zero temperature and prevent the emergence of long-range order, as for example…
Raman spectra of LCMO films grown on LAO (001), STO (001), and MgO (001) substrates were studied at different temperatures. The effect of temperature, doping level and strain on Raman spectra are discussed in detail. With decreasing…
The magnetic ground state of RuO$_2$ has been under intense debate. Using first-principles calculations, we show that compressive strain along [001] direction stabilizes an altermagnetic phase in RuO$_2$ thin films grown on (100) and (110)…
LaCoO3 thin films grown under epitaxial tensile strain exhibit a robust ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the microscopic origin of this phenomenon is not…
In the framework of Landau--Ginzburg--Devonshire (LGD) phenomenological theory, the influence of misfit strains, surface energy, and finite-size effects on phase diagrams, polar properties, and hysteresis loops has been calculated for…
The V2O3 phase diagram contains two insulating phases and one metallic phase with different lattice structures. The stability of these phases is very sensitive to pressure, offering a mechanism to tune phase transitions by inducing strain…
We use density functional theory to explore the interplay between octahedral rotations and ferroelectricity in the model compound SrTiO$_3$. We find that over the experimentally relevant range octahedral rotations suppress ferroelectricity…
We report the relationship between epitaxial strain and the crystallographic orientation of the in-phase rotation axis and A-site displacements in Pbnm-type perovskite films. Synchrotron diffraction measurements of EuFeO3 films under strain…
The tetragonal states produced by isotropic pseudomorphic epitaxial strain in the (001) plane on a tetragonal phase of a crystal are calculated for V, Ti, Rb, Li, K, Sr from first-principles electronic theory. It is shown that each metal…