Related papers: Neutral defects in SrTiO3 studied with screened hy…
Oxygen octahedral rotations have been measured in short-period (LaNiO$_3$)$_n$/(SrMnO$_3$)$_m$ superlattices using synchrotron diffraction. The in-plane and out-of-plane bond angles and lengths are found to systematically vary with…
The depth dependence of the crystallographic parameters mosaicity, lattice parameter variation and integrated reflectivity and of the critical scattering above the 105 K structural phase transition of SrTiO$_3$ have been studied in five…
Understanding charge transfer at oxide interfaces is crucial for designing materials with emergent electronic and magnetic properties, especially in systems where strong electron correlations and spin-orbit coupling coexist.…
The widely reported magnetoresistance oscillations in LaAlO3/SrTiO3 heterostructures have invariably been attributed to the Shubnikov-de Haas (SdH) effect, despite a pronounced inconsistency with low-field Hall resistance measurements. Here…
SrTiO3 has attracted considerable interest as a wide-band gap semiconductor for advanced high-k capacitors and photocatalytic applications. Although previous angle-resolved photoemission spectroscopy (ARPES) studies have characterized the…
We use density functional theory (DFT) calculations to show that oxygen vacancies ($v_\mathrm{O}$) and mobility induce noncentrosymmetric polar structures in SrTi$_{1-x-y}$Fe$_{x}$Co$_{y}$O$_{3-\delta}$ ($x=y=0.125$) with $\delta = \{0.125,…
Orthorhombic SrIrO3 subjected to strain show tunable transport properties. With underlying symmetry remaining invariant, these properties are associated with IrO6 octahedral tilting. Adopting to first-principles methods, the effects of…
The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobility Group IV semiconductor p-Ge have been investigated. Hard x-ray photoelectron spectroscopy…
The nitrogen substitution into the oxygen sites of several oxide materials leads to a reduction of the band gap to the visible light energy range, which makes these oxynitride semiconductors potential photocatalysts for efficient solar…
We have employed admittance spectroscopy and deep-level transient spectroscopy in order to investigate the electronic properties of ZnO/CdS/Cu(In,Ga)(S,Se)$_2$ heterojunctions and Cr/Cu(In,Ga)(S,Se)$_2$ Schottky contacts. Our work…
The irradiation of SrTiO$_3$ single crystals with swift heavy ions leads to modifications of the surface. The details of the morphology of these modifications depends strongly on the angle of incidence and can be characterized by atomic…
The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…
Phonon spectra of cubic rubidium niobate and rubidium tantalate with the perovskite structure are calculated from first principles within the density functional theory. Based on the analysis of unstable modes in the phonon spectra, the…
Correlated oxide heterostructures pose a challenging problem in condensed matter research due to their structural complexity interweaved with demanding electron states beyond the effective single-particle picture. By exploring the…
Surface photovoltage (SPV) spectroscopy, which is a versatile method to analyze the energetic distribution of electronic defect states at surfaces and interfaces of wide-bandgap semiconductor (hetero-)structures, is applied to comparatively…
The complex elastic compliance s11(w,T) of SrTiO3-d has been measured as a function of the O deficiency d < 0.01. The two main relaxation peaks in the absorption are identified with hopping of isolated O vacancies over a barrier of 0.60 eV…
Perovskite BaSnO3 has an Sn s-orbital conduction band minimum, which makes it of interest as a transparent-conducting oxide parent compound but also contraindicates the ferroelectric instability characteristic of the related compound…
Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of…
Motivated by the unusual features observed in the transport properties of the ferromagnetic "bad metal" $SrRuO_{3}$, we construct a model incorporating essential features of the realistic structure of this nearly cubic material. In…
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…