Related papers: How to cleave cubic perovskite oxides
Perovskite oxides exhibit a plethora of exceptional electronic properties, providing the basis for novel concepts of oxide-electronic devices. The interest in these materials is even extended by the remarkable characteristics of their…
Combining effective Hamiltonian and direct $ab$ $initio$ computation, we obtain the phase diagram of SnTiO$_{3}$ with respect to epitaxial strain and temperature, demonstrating the complex features of the phase diagram and providing insight…
Hexagonal perovskites with face-sharing octahedral connectivity are an underexplored class of materials. We propose quantitative design principles for stabilizing face-sharing ABX3 hexagonal perovskites based on a comparative analysis of…
With reduced dimensionality, it is often easier to modify the properties of ultra-thin films than their bulk counterparts. Strain engineering, usually achieved by choosing appropriate substrates, has been proven effective in controlling the…
Rutile RuO$_2$ has attracted significant interest due to its putative unconventional electronic and magnetic properties and its proximity to superconductivity. However, the measurement and interpretation of its electronic structure has been…
The (001) surfaces of cleaved Sr$_3$Ru$_2$O$_7$ and Sr$_2$RuO$_4$ samples were investigated using low-temperature scanning tunneling microscopy and density functional theory calculations. Intrinsic defects are not created during cleaving.…
Oxygen stoichiometry is one of the most important elements in determining the physical properties of transition metal oxides (TMOs). A small fractional change in the oxygen content, resulting in the variation of valence state of the…
A chemical etching method was developed for (110) and (001) NdGaO3 single crystal substrates in order to obtain an atomically flat GaO2-x - terminated surface. Depending on the surface step density the substrates were etched in…
We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO$_{3}$, LaAlO$_{3}$ and LaTiO$_{3}$ using the screened hybrid density functional of Heyd, Scuseria and Ernzerhof (HSE06). We show that…
Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…
To realize a chemical diffusion experiment for simple quantitative analysis of one-dimensional diffusion profiles requires the fabrication of a planar and chemically sharp interface between two phases, one serving as the diffusion source…
Recent advancements in dislocation engineering are reshaping the traditional view towards ceramics being brittle. Here, we use KTaO3 (KTO), a perovskite oxide that is newly discovered with room-temperature bulk plasticity, and demonstrate…
The increased computational and experimental interest in perovskite systems comprising novel phases and reduced dimensionality has greatly expanded the search space for this class of materials. In similar fields, unified frameworks exist…
This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work…
We report room-temperature bulk plasticity mediated by dislocations in single-crystal cubic KTaO3, contrasting the conventional knowledge that single-crystal KTaO3 is susceptible to brittle cleavage. A mechanics-based combinatorial…
Owing to the versatility in their chemical and physical properties, transition metal perovskite oxides have emerged as a new category of highly efficient photocatalysts for photoelectrochemical water splitting. Here, to understand the…
We investigated how SrOx segregates on a Nb doped SrTiO3 (100) surface by in air annealing. Using atomic force and photoemission electron microscopes, we can directly visualize the morphology and the electronic phase changes with SrOx…
A novel approach for finding new transparent conductors involves taking advantage of electronic correlations in metallic transition metal oxides, such as SrVO$_3$, to enhance the electronic effective mass and suppress the plasma frequency…
We present a detailed single crystal x-ray diffraction study of twinned orthorhombic perovskites. The diffraction pattern can be indexed on a $2a_p$x$2a_p$x$2a_p$ lattice, but does not obey cubic symmetry relations. The data can be modelled…
When calcium titanate crystals are grown from stoichiometric melts, they crystallize in the cubic perovskite structure. Upon cooling to room temperature they undergo subsequent phase transitions to tetragonal and orthorhombic modifications.…