Related papers: Strain controlled oxygen vacancy formation and ord…
While structure refinement is routinely achieved for simple bulk materials, the accurate structural determination still poses challenges for thin films due on the one hand to the small amount of material deposited on the thicker substrate…
The slow kinetics of the oxygen reduction reaction (ORR) is one of the key challenges in developing high performance energy devices, such as solid oxide fuel cells. Straining a film by growing on a lattice-mismatched substrate has been a…
We report on the structural and magnetic characterization of (110) and (001) La2/3Ca1/3MnO3 (LCMO) epitaxial thin films simultaneously grown on (110) and (001)SrTiO3 substrates, with thicknesses t varying between 8 nm and 150 nm. It is…
We demonstrate the tunability of oxygen content in pulsed laser deposition (PLD)-grown barium stannate (BaSn$O_3$, BSO) thin films by precisely controlling the background oxygen pressure over a broad range from 0.0004 mbar to 0.13 mbar. The…
Epitaxial thin films of multiferroic perovskite BiMnO3 were synthesized on SrTiO3 substrates, and orbital ordering and magnetic properties of the thin films were investigated. The ordering of the Mn^{3+} e_g orbitals at a wave vector (1/4…
SrTiO$_3$ thin films were used as a model system to study the effects of strain and epitaxial constraint on structural phase transitions of perovskite films. The basic phenomena revealed will apply to a variety of important structural…
In tin dioxide nanostructures, oxygen vacancies (OVs) play an important role in their optical properties and thus regulation of both OV concentration and type via external strain is crucial to exploration of more applications.…
In this paper we study the effect of normal and shear strains and oxygen vacancies on the structure of 180^o ferroelectric domain walls in PbTiO_3. It is known that oxygen vacancies move to the domain walls and pin them. Hence, we assume a…
The effect of high tensile strain and low dimensionality on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ substrates, are experimentally studied and theoretically analyzed. By means of…
We report on the effect of epitaxial strain on magnetic and optical properties of perovskite LaCrO3 (LCO) single crystal thin films. Epitaxial LCO thin films are grown by pulsed laser deposition on proper choice of substrates to impose…
The structure and microstrucutre of fully-strained BiCrO3 thin films have been investigated by X-rays diffraction and transmission electron microscopy, at room temperature. Interestingly, three structural variants are simultaneously…
Controlling material properties by modulating the crystalline structure has been attempted using various techniques, e.g., hydrostatic pressure, chemical pressure, and epitaxy. These techniques succeed to improve properties and achieve…
Transition-metal oxides with an ABO$_3$ perovskite structure exhibit significant coupling between spin, orbital, and lattice degrees of freedom, highlighting the crucial role of lattice distortion in tuning the electronic and magnetic…
Identification of kinetic and thermodynamic factors that control crystal nucleation and growth represents a central challenge in materials synthesis. Here we report that apparently defect-free growth of La$_2$MnNiO$_6$ (LMNO) thin films…
We investigate energetically favorable structures of ABO$_2$N oxynitrides as functions of pressure and strain via swarm-intelligence-based structure prediction methods, DFT lattice dynamics and first-principles molecular dynamics. We…
The epitaxy of MoO2 on c_plane sapphire substrates is examined. A theoretical approach, based on density functional theory calculations of the strain energy, allowed to predict the preferred layer/substrate epitaxial relationships. To test…
Using an extension of a first-principles method developed by King-Smith and Vanderbilt [Phys. Rev. B {\bf 49}, 5828 (1994)], we investigate the effects of in-plane epitaxial strain on the ground-state structure and polarization of eight…
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…
La1-xSrxCo0.25Fe0.75O3-delta is known as one of the best cathode materials for permeation membranes and solid oxide fuel cells. Optimization of its chemical composition is a challenging problem. One of the key properties is concentration of…
We use density functional calculations to investigate the accommodation and migration of oxygen vacancies in bulk hexagonal YMnO$_3$, and to study interactions between neutral ferroelectric domain walls and oxygen vacancies. Our…