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Diffraction Anomalous Fine Structure (DAFS) spectroscopy uses resonant elastic x-rays scattering as an atomic, shell and site selective probe that gives information on the electronic structure and the local atomic environment as well as on…
The electronic orders appearing in condensed matter systems are originating from the precise arrangement of atoms constituting the crystal as well as their nature. This teneous relationship can lead to highly different phases in condensed…
There is only a handful of scanning techniques that can provide surface topography at nanometre resolution. At the same time, there are no methods that are capable of non-invasive imaging of the three-dimensional surface topography of a…
Understanding atomic structures is crucial, yet amorphous materials remain challenging due to their irregular and non-periodic nature. The Wavelet Transform Radial Distribution Function (WT-RDF) offers a physics-based framework for…
Near infrared diffuse optical imaging can be performed in reflectance and transmission mode and relies on physical models along with measurements to extract information on changes in chromophore concentration. Continuous-wave near-infrared…
We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potentials, the Raman-active $\Gamma$-weighted density of states…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
LiDAR-based 3D object detectors have been largely utilized in various applications, including autonomous vehicles or mobile robots. However, LiDAR-based detectors often fail to adapt well to target domains with different sensor…
Electron backscatter diffraction is a powerful tool for mapping crystallographic microstructures. However, the primary crux to improving orientation accuracy and applying the technique to challenging materials lies in the correct…
Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…
This article discusses electromagnetic properties of volumetric metamaterial samples with essentially discrete structure, that is, assembled as a periodic array of electromagnetic resonators. We develop an efficient numerical procedure for…
We report calculations of the electronic structure of CaB$_6$ using the weighted density approximation (WDA) to density functional theory. We find a semiconducting band structure with a sizable gap, in contrast to local density…
Suspended specimens of 2D crystals and their heterostructures are required for a range of studies including transmission electron microscopy (TEM), optical transmission experiments and nanomechanical testing. However, investigating the…
We describe a lattice-based crystallographic approximation for the analysis of distorted crystal structures via Electron Backscatter Diffraction (EBSD) in the scanning electron microscope. EBSD patterns are closely linked to local lattice…
We investigate five different models to reconstruct the 3D $\gamma$-ray hit coordinates in five large \lacls monolithic crystals optically coupled to pixelated silicon photomultipliers. These scintillators have a base surface of 50 $\times$…
We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution…
The charge density wave (CDW) in solids is a collective ground state combining lattice distortions and charge ordering. It is defined by a complex order parameter with an amplitude and a phase. The amplitude and wavelength of the charge…
We extend the calculation of dark matter direct detection rates via electronic transitions in general dielectric crystal targets, combining state-of-the-art density functional theory calculations of electronic band structures and wave…
The dream of machine learning in materials science is for a model to learn the underlying physics of an atomic system, allowing it to move beyond interpolation of the training set to the prediction of properties that were not present in the…
Characteristic modes are formulated using the scattering dyadic, which maps incident plane waves to scattered far fields generated by an object of arbitrary material composition. Numerical construction of the scattering dyadic using…