Related papers: Substrate coherency-driven octahedral rotations in…
We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in…
Recent experimental advances in surface science have made it possible to track the evolution of superconductivity in films as the thickness enters the nanoscale region where it is expected that the substrate plays an important role. Here,…
The electronic structure of SrTiO3 and SrHfO3 (001) surfaces with oxygen vacancies is studied by means of first-principles calculations. We reveal how oxygen vacancies within the first atomic layer of the SrTiO3 surface (i) induce a large…
We investigate the effects of compressive strain on the electrical resistivity of 5d iridium based perovskite SrIrO3 by depositing epitaxial films of thickness 35 nm on various substrates such as GdScO3 (110), DyScO3 (110), and SrTiO3…
Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…
Strontium titanate, SrTiO3, a widely used substrate material for electronic oxide thin film devices, has provided many interesting features. In a combination with a similar oxide material, LaAlO3, it has recently received great interest. It…
The superstructure spots that appear in diffraction patterns of tilted perovskites are well documented and easily calculated using crystallographic software. Here, by considering a distortion mode as a perturbation of the prototype…
We have investigated the electronic structure of meta-stable perovskite Ca1-xSrxIrO3 (x = 0, 0.5, and 1) thin films using transport measurements, optical spectroscopy, and first-principles calculations. We artificially fabricated the…
Structural and superconducting properties of high quality Niobium nanofilms with different thicknesses are investigated on silicon oxide and sapphire substrates. The role played by the different substrates and the superconducting properties…
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…
Perovskite chalcogenides have emerged as a new class of semiconductors with tunable band gap in the visible-infrared region. High quality thin films are critical to understand the fundamental properties and realize the potential…
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.…
The relationship between the magnetic interaction and photoinduced dynamics in antiferromagnetic perovskites is investigated in this study. In La${}_{1/3}$Sr${}_{2/3}$FeO${}_{3}$ thin films, commensurate spin ordering is accompanied by…
Hexagonal oxide perovskites, in contrast to the more familiar perovskites, allow for face-sharing of metal-oxygen octahedra or trigonal prisms within their structural frameworks. This results in dimers, trimers, tetramers, or longer…
Two-dimensional (2D) ferroelectricity has attracted extensive attention since its discovery in the monolayers of van der Waals materials. Here we show that 2D ferroelectricity induced by octahedral rotation distortion is widely present in…
We use first-principles methods to study oxygen-octahedra rotations in ABO3 perovskite oxides. We focus on the short-period, perfectly antiphase or in-phase, tilt patterns that characterize most compounds and control their physical (e.g.,…
We have investigated the crystal structures and superconducting properties of thin films of FeSe$_{0.5}$Te$_{0.5}$ grown on eight different substrates. Superconductivity is not correlated with the lattice mismatch; rather it is correlated…
The 5$d$ series semimetallic Dirac nodal-line perovskite SrIrO$_3$ presents a promising system to study the interplay between spin-orbit coupling and electron-electron interactions in the epitaxial thin film geometry. The competition…
An anomalously high valence state sometimes shows up in transition-metal oxide compounds. In such systems, holes tend to occupy mainly the ligand $p$ orbitals, giving rise to interesting physical properties such as superconductivity in…
To achieve high quality epitaxial thin films and heterostructures of transition metal oxides with atomically controlled interfaces, one critical requirement is the use of atomically flat single terminated oxide substrates since the atomic…