Related papers: Convergent-Beam X-ray Crystallography
Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a…
A general approach to the analysis of optical properties of photonic crystals based on multiple-quantum-well structures is developed. The effect of the polarization state and a non-perpendicular incidence of the electromagnetic wave is…
A material's properties and functionalities are determined by its chemical constituents and the atomic arrangement in which they crystallize. For the recently discovered pigment YIn$_{1-x}$Mn$_x$O$_3$, for instance, it had been surmised…
Mechanical stress control is becoming one of the major challenges for the future of micro and nanotechnologies. Micro scanning X-ray diffraction is one of the promising techniques that allows stress characterization in such complex…
A phenomenological theory of luminescence properties of one-dimensional resonant photonic crystals is developed within the framework of classical Maxwell equations with fluctuating polarization terms representing non-coherent sources of…
This paper addresses the structural characterisation of a series of U/Fe, U/Co and U/Gd multilayers. X-ray reflectivity has been employed to investigate the layer thickness and roughness parameters along the growth direction and high-angle…
Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by…
The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over…
When viewed with a cross-polarized optical microscope (POM), liquid crystals display interference colors and complex patterns that depend on the material's microscopic orientation. That orientation can be manipulated by application of…
Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…
Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining inorganic crystal structures from powder X-ray diffraction (PXRD) data is traditionally a…
Well-known Kato's theory of the Laue diffraction of spherical x-ray waves is generalized to the case of the neutron diffraction in strongly absorbing crystals, taking into consideration both the potential and the resonant scattering of…
High resolution low angle x-ray data are reported for the gel phase of DPPC lipid bilayers, extending the previous q range of 1.0 {\AA}-1 to 1.3 {\AA}-1, and employing a new technique to obtain more accurate intensities and form factors…
Every electron crystallography experiment is fundamentally limited by radiation damage. Nevertheless, little is known about the onset and progression of radiolysis in beam-sensitive molecular crystals. Here we apply ambient-temperature…
Solids with spatially varying photonic structure offer gaps to light of a wider range of frequencies than do simple photonic systems. We solve numerically the field distribution in a solid cholesteric with a linearly varying inverse pitch…
Structured x-rays carrying an orbital angular momentum break spatial inversion symmetry and have been proposed as a means to probe chirality. We theoretically investigate twisted non-resonant x-ray diffraction from chiral molecules and…
Spectrographs take snapshots of photon spectra with array detectors by dispersing photons of different energies into distinct directions and spacial locations. Spectrographs require optics with a large angular dispersion rate as the key…
Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…