Related papers: Structure refinement from 'Digital' Large Angle Co…
The accuracy of the information that can be extracted from electron diffraction patterns is often limited by the presence of optical distortions. Existing distortion characterization techniques typically require knowledge of the reciprocal…
Van der Waals heterostructures have been lately intensively studied because they offer a large variety of properties that can be controlled by selecting 2D materials and their sequence in the stack. The exact arrangement of the layers as…
Convergent beam electron diffraction is routinely applied for studying deformation and local strain in thick crystals by matching the crystal structure to the observed intensity distributions. Recently, it has been demonstrated that CBED…
Convergent beam electron diffraction (CBED) performed on two-dimensional (2D) materials recently emerged as a powerful tool to study structural and stacking defects, adsorbates, atomic 3D displacements in the layers, and the interlayer…
The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a model, here we develop scanning atomic electron tomography…
Convergent-beam electron diffraction (CBED) is a well-established probe for spatial symmetries of crystalline samples, mainly exploiting the well-defined mapping between the diffraction groups (symmetry group of CBED patterns) and the…
We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…
In digital holography, the coherent scattered light fields can be reconstructed volumetrically. By refocusing the fields to the sample planes, absorption and phase-shift profiles of sparsely distributed samples can be simultaneously…
A major remaining challenge in the superconducting cuprates is the unambiguous differentiation of the composition and electronic structure of the CuO$_2$ layers and those of the intermediate layers. The large c axis for these materials…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states, are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static…
We introduce a rapid data acquisition and reconstruction method to image the crystalline structure of materials and associated strain and orientations at micrometer resolution using Laue diffraction. Our method relies on scanning a…
We construct model-independent parametrizations of the individual QCD form factors relevant to Lambda_b --> Lambda_c l nu decays. These results follow from dispersion relations and analyticity, and incorporate an improvement in the…
This paper considers the reconstruction of a defect in a two-dimensional waveguide during non-destructive ultrasonic inspection using a derivative-based optimization approach. The propagation of the mechanical waves is simulated by the…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
Inspired by complete graph theory, we demonstrate that a metallic claw "meta-atom" structure can carry a high number of nearly degenerate resonant modes. A photonic meta-crystal composing of a lattice of such meta-atoms exhibits a large…
We describe the quantitative refinement of nanoparticle structures from gold nanoparticles probed by ultrafast electron crystallography (UEC). We establish the equivalence between the modified radial distribution function employed in UEC…
Atomic layer deposition (ALD) provides uniform and conformal thin films that are of interest for a range of applications. To better understand the properties of amorphous ALD films, we need improved understanding of their local atomic…
Defects and reconstructions in 2D moir\'e materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…