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Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Materials Science · Physics 2023-09-07 Andreas Leitherer , Byung Chul Yeo , Christian H. Liebscher , Luca M. Ghiringhelli

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…

An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or…

Computational Physics · Physics 2020-05-27 Leslie Ching Ow Tiong , Jeongrae Kim , Sang Soo Han , Donghun Kim

Controlling crystalline material defects is crucial, as they affect properties of the material that may be detrimental or beneficial for the final performance of a device. Defect analysis on the sub-nanometer scale is enabled by…

Materials Science · Physics 2021-06-03 Nik Dennler , Antonio Foncubierta-Rodriguez , Titus Neupert , Marilyne Sousa

The advent of high-resolution electron and scanning probe microscopy imaging has opened the floodgates for acquiring atomically resolved images of bulk materials, 2D materials, and surfaces. This plethora of data contains an immense volume…

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

Mechanical properties in crystals are strongly correlated to the arrangement of 1D line defects, termed dislocations. Recently, Dark field X-ray Microscopy (DFXM) has emerged as a new tool to image and interpret dislocations within crystals…

Materials Science · Physics 2026-01-13 Pin-Hua Huang , Ryan Coffee , Leora Dresselhaus-Marais

In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…

Materials Science · Physics 2026-02-12 Osman Goni Ridwan , Hongfei Xue , Youxing Chen , Harish Cherukuri , Qiang Zhu

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.…

Traditionally, phase transitions are explored using a combination of macroscopic functional characterization and scattering techniques, providing insight into average properties and symmetries of the lattice but local atomic level…

Convergent beam electron diffraction (CBED) performed on two-dimensional (2D) materials recently emerged as a powerful tool to study structural and stacking defects, adsorbates, atomic 3D displacements in the layers, and the interlayer…

Mesoscale and Nanoscale Physics · Physics 2022-01-25 Tatiana Latychevskaia , Sarah Haigh , Kostya Novoselov

Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…

Materials Science · Physics 2023-02-13 Christoph T. Koch

In this article, we demonstrate a method for inducing reversible crystal-to-crystal transitions in binary mixtures of soft colloidal particles. Through a controlled decrease of salinity and increasingly dominating electrostatic…

Soft Condensed Matter · Physics 2021-08-30 Jasper N. Immink , Maxime J. Bergman , J. J. Erik Maris , Joakim Stenhammar , Peter Schurtenberger

Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…

Materials Science · Physics 2025-04-29 Sumitava Kundu , Kaustav Chakraborty , Avisek Das

Strain engineering is widely used in material science to tune the (opto-)electronic properties of materials and enhance the performance of devices. Two-dimensional atomic crystals are a versatile playground to study the influence of strain,…

Mesoscale and Nanoscale Physics · Physics 2019-03-08 Lukas Mennel , Marco M. Furchi , Stefan Wachter , Matthias Paur , Dmitry K. Polyushkin , Thomas Mueller

Convergent beam electron diffraction is routinely applied for studying deformation and local strain in thick crystals by matching the crystal structure to the observed intensity distributions. Recently, it has been demonstrated that CBED…

Mesoscale and Nanoscale Physics · Physics 2020-03-31 Tatiana Latychevskaia , Colin Robert Woods , Yi Bo Wang , Matthew Holwill , Eric Prestat , Sarah J. Haigh , Kostya S. Novoselov

Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived…

Materials Science · Physics 2019-04-25 Marco Salvalaglio , Axel Voigt , Ken R. Elder

The classifications approaches for the crystallographic symmetries of patterns that are more or less periodic in two dimensions are critically reviewed and their relative performance qualitatively evaluated. The information theory based…

Materials Science · Physics 2021-06-01 Peter Moeck

Van der Waals heterostructures, which explore the synergetic properties of two-dimensional (2D) materials when assembled into three-dimensional stacks, have already brought to life a number of exciting new phenomena and novel electronic…

Mesoscale and Nanoscale Physics · Physics 2018-08-02 Tatiana Latychevskaia , Colin Robert Woods , Yi Bo Wang , Matthew Holwill , Eric Prestat , Sarah J. Haigh , Kostya S. Novoselov