The role of absorption in 3D electron diffraction dynamical structure refinement

This work establishes the role of absorption in 3D electron diffraction dynamical refinement, where its inclusion is shown to significantly affect refinement outcomes only in high-Z materials at thicknesses approaching ξ_g.

Determination of the one-electron reduced Wigner function for a molecular crystal

The first reconstruction of an experimental one-particle reduced Wigner function for electrons in molecular crystals is reported. It relies on an ensemble N-representable model jointly refined from the X-ray diffraction and Compton scattering data.

Dynamics and entropy of dynamical systems arising from two-dimensional random substitutions

We study the dynamics and entropy of dynamical systems arising from two-dimensional random substitutions, exhibiting both local disorder and global order, as shown by positive topological entropy and the presence of non-trivial pure-point components in the diffraction spectrum.

On the diffraction spectrum of two-dimensional random substitutions

We investigate the spectral properties of two distinct classes of two-dimensional random substitutions: a family of constant-shape block random substitutions and the random Fibonacci direct product variation, which is a nonconstant-shape but geometrically compatible random inflation rule.

Predominantly pentagonal ice bilayers: energetics and self-assembly properties

The stability factors of ice bilayers with different arrangements of hydrogen atoms in hydrogen bonds are established. A topological condition for the assembly of bilayers from individual fragments is proposed. Methods for producing bilayers and the main challenges are described.

Mirror Symmetry. The Mother of all Crystal Symmetries