LAUSR

The atomic arrangements in amorphous solids, unlike those in crystalline materials, remain elusive. The details of atom ordering are under debate even in simplistic random network models. This work presents further advancements in the local atomic motif (LAM) method, first through the introduction of an optimized alignment procedure providing a clearer image of the angular ordering of atoms in a model. Secondly, by applying stereographic projections with LAMs, the angular ordering within coordination shells can be quantified and investigated. To showcase the new capabilities, the LAM method is applied to amorphous germanium, the archetype of covalent amorphous systems. The method is shown to dissect structural details of amorphous germanium (a-Ge) from the continuous random network (CRN) model and a reverse Monte Carlo (RMC) refined model fitted to high-resolution X-ray scattering measurements. The LAMs reveal well defined dihedral ordering in the second shell. The degree of dihedral ordering is observed to be coupled to bond length distances in the CRN model. This coupling is clearly not present within the RMC refined model. The LAMs reveal inclusions of third-shell atoms occupying interstitial positions in the second shell in both models.