Related papers: Localization and characterization of simple defect…

We present a new variational model for computing the electronic first-order density matrix of a crystalline material in presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the…

Complex crystal structures are composed of multiple local environments, and how this type of order emerges spontaneously during crystal growth has yet to be fully understood. We study crystal growth across various structures and along…

Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…

We predict the existence of stable nonlinear localized modes near the band edge of a two-dimensional reduced-symmetry photonic crystal with a Kerr nonlinearity. Employing the technique based on the Green function, we reveal a physical…

Topological photonic crystals have received considerable attention for their ability to manipulate and guide light in unique ways. They are typically designed by hand based on careful analysis of their bands and mode profiles, but recent…

Confocal microscopy of fluorescent labeled particles has been used to study the dynamical and structural properties of colloidal and granular matter in real space. Localization algorithms allow for a fully automatized determination of the…

Insight in the structure of nanoparticle assemblies up to a single particle level is key to understand the collective properties of these assemblies, which critically depend on the individual particle positions and orientations. However,…

Photonic crystals create dramatic new possibilities for nonlinear optics. Line defects are shown to support modes suitable for the production of pairs of photons by the material's second order nonlinearity even if the phase-matching…

Holograms of colloidal particles can be analyzed with the Lorenz-Mie theory of light scattering to measure individual particles' three-dimensional positions with nanometer precision while simultaneously estimating their sizes and refractive…

In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…

In recent years, there have been rapid advances in the parallel fields of electronic and photonic topological crystals. Topological photonic crystals in particular show promise for coherent transport of light and quantum information at…

Non-iridescent structural colors based on disordered arrangement of monodisperse spherical particles, also called photonic glass, show low color saturation due to gradual transition in reflectivity. No significant improvement is usually…

We present a procedure to reconstruct objects from holograms recorded in in-line holography settings. Working with one beam of polarized light, the topological derivatives and energies of functionals quantifying hologram deviations yield…

Defects in crystalline materials control the properties of materials, and their characterization focuses our strategies to optimize performance. Electron microscopy has served as the backbone of our understanding of defect structure and…

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms…

Structural defects are ubiquitous in condensed matter, and not always a nuisance. For example, they underlie phenomena such as Anderson localization and hyperuniformity, and they are now being exploited to engineer novel materials. Here, we…

Doping impurity atoms is a strategy commonly used to tune the functionality of materials including catalysts, semiconductors, and quantum emitters. The location of dopants and their interaction with surrounding atoms could significantly…

We build on previous efforts to model CCD sensors, during illumination and collection of conversions. We use a finite summation of simple, electrostatic field models. The upgraded functionality of our framework provides specific predictions…

The local arrangement of atoms is one of the most important predictors of mechanical and functional properties of materials. However, algorithms for identifying the geometrical arrangements of atoms in complex materials systems are lacking.…

The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…