Related papers: Oxygen vacancy formation energies in Sr-doped comp…
We use density functional theory within the generalized gradient approximation to characterize the dielectric response of rare earth oxides: (La,Sc)2 O3 bixbyite, and LaScO3 perovskite. We focus on the role of strain on the phonon…
A detailed electronic phase diagram of perovskite-type oxides Sr$_{1-x}$La$_x$FeO$_3$ $(0\leq x \leq 0.5)$ was established by synchrotron X-ray diffraction, magnetization, and transport measurements for polycrystalline samples synthesized…
The technological conditions of oxygen content variation in epitaxial La0.7Sr0.3MnO3-{\delta} films and the peculiarities of change of their transport characteristics were investigated. The films were grown onto single crystal SrTiO3…
Iron resonant valance band photoemission spectra of Sr substituted LaFe0.75Ni0.25 O3-{\delta} have been recorded across the Fe 2p - 3d absorption threshold to obtain Fe specific spectral information on the 3d projected partial density of…
The defect chemistry of perovskite compounds is directly related to the stoichiometry and to the valence states of the transition-metal ions. Defect engineering has become increasingly popular as it offers the possibility to influence the…
By using DFT+U, we explore the formation of oxygen vacancies and their impact on the electronic and magnetic structure in strained bulk LaNiO3 and (LaNiO3)$_1$/(LaAlO3)$_1$(001) superlattices. For bulk LaNiO3, we find that epitaxial strain…
Perovskite manganite La0.5Ca0.5-x xMnO3 (LCMO) nanomaterials were elaborated using the sucrose modified auto combustion method. Rietveld refinements of the X-ray diffraction patterns of the crystalline structure confirm a single-phase…
La0.6Sr0.4Fe0.8Mn0.2O3 (LSFM) compound is synthesized by Sol-gel method and evaluated as a cathode material for the intermediate temperature solid oxide fuel cell (IT-SOFC). X-ray diffraction (XRD) indicates that the LSFM has a Rhombohedral…
We systematically synthesized perovskite-type oxides Sr1-xCaxCoO3 containing unusually high valence Co4+ ions by a high pressure technique, and investigated the effect of systematic lattice change on the magnetic and electronic properties.…
Chalcogenide perovskites offer superior thermal and aqueous stability as well as a benign elemental composition compared to organic halide perovskites for optoelectronic applications. In this study, the structural, electrical, elastic,…
The conductivity of the electron hole and polaron conductor La1-xSrxFe0.75Ni0.25O3-{\delta}, a potential cathode material for intermediate temperature solid oxide fuel cells, was studied for 0 <x < 1 and for temperatures 300 K <T < 1250 K.…
Nitride perovskites are an emerging class of materials predicted to exhibit diverse functional properties, yet remain underexplored due to synthesis challenges of oxygen-free nitrides. Recently, LaMoN$_3$ has been reported as an oxygen-free…
The effect of oxygen content on the magnetic properties of the layered perovskites has been investigated. The samples, PrBaCo$_{2}$O$_{5+\delta}$ (0.35 $\leq \delta \leq$ 0.80) were prepared by sol-gel method and characterized by X-ray…
The structural, magnetic, magnetocaloric and Griffiths phase (GP) disorder of non-stoichiometric perovskite manganites La_(0.8-x) Sr_(0.2-y) Mn_(1+x+y) O_3 are reported here. Determination of valence states and structural phases evidenced…
We have prepared a series of polycrystalline samples La$_{0.5}$Sr$_{0.5}$CoO$_{3-\delta}$} with $0 < \delta \le 0.21$ and characterized their oxygen content, crystal structure, and magnetic properties. While the fully oxygenated samples are…
This work presents a first principles study of the (001) surface energetics of nine oxide perovskites, with a focus on the role of surface vacancies in determining termination stability. Additionally, investigation into the behaviour of…
Transition-metal perovskite oxides constitute a series of functional material systems for electronics, catalysis and energy-conversion processes, in which oxygen migration and evolution play a key role. However, the stable metal-oxygen…
Accelerating the oxygen reduction reaction (ORR) is a main subject of electrocatalysis research.A critical step of ORR is the formation of the hydroperoxyl functional group (OOH*) intermediate. In this study, we investigate the influence of…
La-based perovskites are a versatile class of materials that are of interest for solid oxide fuel cells and electrocatalytic water splitting. During fabrication of composition spread materials libraries of La-Co-based oxide systems for the…
Defect engineering has brought about a unique level of control for Si-based semiconductors, leading to the optimization of various opto-electronic properties and devices. With regard to perovskite transition metal oxides, oxygen vacancies…