Related papers: Solving the Crystallographic Phase Problem using D…
Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…
Diffraction is the most common method to solve for unknown or partially known crystal structures. However, it remains a challenge to determine the crystal structure of a new material that may have nanoscale size or heterogeneities. Here we…
We describe a method for controlling many-body states in extended ensembles of Rydberg atoms, forming crystalline structures during laser excitation of a frozen atomic gas. Specifically, we predict the existence of an excitation number…
This paper describes how to efficiently solve time-dependent x-ray dynamic diffraction problems in distorted crystals with an FFT-based beam propagation method (FFT BPM). We show examples of using the technique to simulate the propagation…
This paper considers the question of recovering the phase of an object from intensity-only measurements, a problem which naturally appears in X-ray crystallography and related disciplines. We study a physically realistic setup where one can…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
Plane-wave electrons undergo momentum transfer as they scatter off a target in overlapping spherical waves. The transferred momentum leads to target structural information to be encoded in angle and energy differential scattering. For…
Structural response of crystals to an applied external perturbation is important as a key for understanding microscopic origin of physical properties. Experimental investigation of structural response is a great challenge for modern…
This paper is devoted to the mathematical analysis of a time-domain electromagnetic scattering by periodic structures which are known as diffraction gratings. The scattering problem is reduced equivalently into an initial-boundary value…
Diffraction methods are at the heart of structure determination of solids. While Bragg-like scattering (pure point diffraction) is a characteristic feature of crystals and quasicrystals, it is not straightforward to interpret continuous…
Transmission electron microscopes use electrons with wavelengths of a few picometers, potentially capable of imaging individual atoms in solids at a resolution ultimately set by the intrinsic size of an atom. Unfortunately, due to…
We demonstrate that a common-line method can assemble a 3D oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured 2D diffraction patterns, as proposed in experiments with an…
In recent years, the mathematical and algorithmic aspects of the phase retrieval problem have received considerable attention. Many papers in this area mention crystallography as a principal application. In crystallography, the signal to be…
Diffraction imaging of non-equilibrium dynamics at atomic resolution is becoming possible with X-ray free-electron lasers. However, there are unresolved problems with applying this method to objects that are confined in only one dimension.…
Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…
The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…
This paper develops a novel framework for phase retrieval, a problem which arises in X-ray crystallography, diffraction imaging, astronomical imaging and many other applications. Our approach combines multiple structured illuminations…
Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…
We introduce the electronic structure factor as a phase-sensitive contribution to diffraction that directly encodes the properties of the occupied-band wave functions. In the one-dimensional SSH model, $F_{\mathrm{cond}}$ is governed by the…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…