Related papers: Superstructure reflexions in tilted perovskites Pa…
Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…
We discuss how structural disorder and amorphization affects solid-state diffusion, and consider zirconolite as a currently important case study. By performing extensive molecular dynamics simulations, we disentangle the effects 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…
Interface states in a 1-D photonic crystal heterostructure with multiple interfaces are examined. It is found that the behavior of the localized modes in the photonic band gaps is dependent on whether there is an even or odd number of…
With increasing temperature, ${\rm Sr}_2{\rm ScSbO}_6$ undergoes three structural phase transitions at approximately ${\rm 400K}$, ${\rm 560K}$ and ${\rm 650K}$, leading to the following sequence of phases: $P2_1/n \rightarrow I2/m…
Naturals and synthetic perovskites are widely used functional materials thanks to their particular physical properties, such as superconductivity, ferroelectricity and photo-activity. Many of these properties are related to static or…
Photocatalytic water splitting represents a very promising but at the same time very challenging contribution to a clean and renewable route to produce hydrogen fuel. Developing efficient and cost-effective photocatalysts for water…
We study the optical properties of crystals with spatial dispersion and show that the usual Fresnel approach becomes invalid near frequencies where the group velocity of the wave packets inside the crystal vanishes. Near these special…
Patterns of vortex ripples form when a sand bed is subjected to an oscillatory fluid flow. Here we describe experiments on the response of regular vortex ripple patterns to sudden changes of the driving amplitude a or frequency f. A…
We report on the growth and properties of high quality bicolor oxide superlattices, composed of two perovskites out of BaTiO3, CaTiO3, and SrTiO3. The artificially grown superlattices are structurally unique and have a macroscopically…
Spin-reorientation phase transitions that involve the rotation of a crystal$'$s magnetization have been well characterized in distorted-perovskite oxides such as the orthoferrites. In these systems spin reorientation occurs due to competing…
Nonequilibrium processes occurring in functional materials can significantly impact device efficiencies and are often difficult to characterize due to the broad range of length and time scales involved. In particular, mixed halide hybrid…
The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…
Metal halide perovskites have shown extraordinary performance in solar energy conversion technologies. They have been classified as "soft semiconductors" due to their flexible corner-sharing octahedral networks and polymorphous nature.…
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…
A supersolid is a counter-intuitive state of matter that combines the frictionless flow of a superfluid with the crystal-like periodic density modulation of a solid. Since the first prediction in the 1950s, experimental efforts to realize…
Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications. Despite considerable ongoing research efforts, crystal…
This is the first of two papers in which we study real and virtual photon-proton scattering in a nonperturbative framework. We classify different contributions to this process and identify the leading contributions at high energies. We then…
In this paper we provide a detailed convergence analysis for an unconditionally energy stable, second-order accurate convex splitting scheme for the Modified Phase Field Crystal equation, a generalized damped wave equation for which the…