Related papers: Quantifying Atomic Structural Disorder Using Procr…

Quantifying the level of atomic disorder within materials is critical to understanding how evolving local structural environments dictate performance and durability. Here, we leverage graph neural networks to define a physically…

We suggest two metrics for assessing the quality of atomistic configurations of disordered materials, both of which are based on quantifying the orientational distribution of neighbours around each atom in the configuration. The first…

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder broadening can be measured experimentally, and in principle…

Disorder in point patterns can be quantified by means of the complexity, rather than in terms of geometric attributes of pattern structure. A complexity-based disorder-quantifying statistic indicates the practical difficulties associated…

Disorder plays a crucial role in many systems particularly in solid state physics. However, the disorder in a particular system can usually not be chosen or controlled. We show that the unique control available for ultracold atomic gases…

Structural quantities such as order parameters and correlation functions are often employed to gain insight into the physical behavior and properties of condensed matter systems. While standard quantities for characterizing structure exist,…

Many standard structural quantities, such as order parameters and correlation functions, exist for common condensed matter systems, such as spherical and rod-like particles. However, these structural quantities are often insufficient for…

We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or…

We study the spatial structure of wave functions with exceptionally high local amplitudes in the Anderson model of localisation. By means of exact diagonalisations of finite systems, we obtain and analyse images of these wave functions: we…

Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…

We discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis…

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. We demonstrate a…

Geometrical disorder is present in many physical situations giving rise to eigenvalue problems. The simplest case of diffusion on a random lattice with fluctuating site connectivities is studied analytically and by exact numerical…

Disordered elemental semiconductors, most notably a-C and a-Si, are ubiquitous in a myriad of different applications. These exploit their unique mechanical and electronic properties. In the past couple of decades, density functional theory…

We consider a geometrization, i.e., we identify geometrical structures, for the space of density states of a quantum system. We also provide few comments on a possible application of this geometrization for composite systems.

We propose a new viewpoint on the study of localization transitions in disordered quantum systems, showing how critical properties can be seen also as a geometric transition in the data space generated by the classically encoded…

We show that the tails of the asymptotic density distribution of a quantum wave packet that localizes in the the presence of random or quasiperiodic disorder can be described by the diagonal term of the projection over the eingenstates of…

Bead packs of up to 150,000 mono-sized spheres with packing densities ranging from 0.58 to 0.64 have been studied by means of X-ray Computed Tomography. These studies represent the largest and the most accurate description of the structure…

Site-occupancy disorder, defined as the non-periodic occupation of lattice sites in a crystal structure, is a ubiquitous phenomenon in solid-state physics and chemistry. Examples are mineral solid solutions, synthetic non-stoichiometric…