Related papers: Solving the Crystallographic Phase Problem using D…
We present spherical analysis of electron backscatter diffraction (EBSD) patterns with two new algorithms: (1) band localisation and band profile analysis using the spherical Radon transform; (2) orientation determination using spherical…
We propose the use of two-dimensional photonic crystals with engineered defects for the generation of an arbitrary-profile beam from a focused input beam. The cylindrical harmonics expansion of complex-source beams is derived and used to…
In this work, we extend the x-ray constrained wavefunction fitting approach, a key method in quantum crystallography for charge density reconstruction, to incorporate experimental observables beyond x-ray diffraction. Unlike traditional…
In this paper, a systematic approach is employed to design a photonic crystal with a boundary between positive and negative refraction to boost the refractive properties of the crystal. Mathematical techniques are employed to turn the…
A deep learning scheme is proposed to solve the electromagnetic (EM) scattering problems where the profile of the dielectric scatterer of interest is incomplete. As a compensation, a limited amount of scattering data is provided, which is…
The atomic lensing model has been proposed as a promising method facilitating atom-counting in heterogeneous nanocrystals [KHW van den Bos et. al, Phys. Rev. Lett. 116 (2016) 246101] Here, image simulations will validate the model, which…
The phase retrieval problem is a fundamental shortcoming of all diffraction-based methods, arising from the inability to measure the phase of scattered waves. The (normal incidence) X-ray standing wave (NIXSW) technique circumvents this…
Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid foundation in crystallography but also a profound comprehension of…
We present a parameter-free method of extraction of the electron magnetic circular dichroism spectra from energy-filtered diffraction patterns measured on crystalline specimen. The method is based on multivariate curve resolution technique.…
Dispersion properties of electromagnetic crystals formed by small uniaxial resonant scatterers (magnetic or electric) are studied using the local field approach. The goal of the study is to determine the conditions under which the…
We solve the problem of electron scattering at a potential temporal step discontinuity. We show that the Schrodinger equation cannot account for scattering in this problem, necessitating resort to the Dirac equation, and that breaking gauge…
It is shown that the diffraction on a polycrystal can be used for investigation and diagnostics of X-ray radiation emitted in a forward direction by relativistic charged particles moving in crystalline or other targets or fields. Methods…
In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…
We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…
Phase reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We…
We used a microfluidic platform to address the problems of obtaining diffraction quality crystals and crystal handling during transfer to the X-ray diffractometer. We optimize crystallization conditions of a pharmaceutical protein and…
Single-crystal X-ray diffraction (SC-XRD) is the gold standard technique to characterize crystal structures in solid state. Despite significant advances in automation for structure solution, the refinement stage still depends heavily on…
Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of the integral over the surface surrounding the crystal, and…
To determine crystal structures from an X-ray diffraction (XRD) pattern containing multiple unknown phases, a data-assimilated crystal growth (DACG) simulation method has been developed. The XRD penalty function selectively stabilizes the…
The diffraction pattern of a single non-periodic compact object, such as a molecule, is continuous and is proportional to the square modulus of the Fourier transform of that object. When arrayed in a crystal, the coherent sum of the…