Related papers: Identifying the ground state structures of point d…
Hetero-epitaxial crystalline films underlie many electronic and optical technologies but are prone to forming defects at their hetero-interfaces. Atomic-scale defects such as threading dislocations that propagate into a film impede the flow…
Two-dimensional materials can be crafted with structural precision approaching the atomic scale, enabling quantum defects-by-design. These defects are frequently described as artificial atoms and are emerging optically-addressable spin…
Grain boundaries, the two-dimensional (2D) defects between differently oriented crystals, control mechanical and transport properties of materials. Our fundamental understanding of grain boundaries is still incomplete even after nearly a…
We have observed phase defects in quasi-2D Bose-Einstein condensates close to the condensation temperature. Either a single or several equally spaced condensates are produced by selectively evaporating the sites of a 1D optical lattice.…
The local structure study reveals important aspects of the physical properties, because it is closely related to the electronic structure. Standard crystallographic analysis based on a space group fails to observe disorder in the crystal…
In this work a periodic crystal with point defects is described in the framework of linear response theory for broken symmetry states using correlation functions and Zwanzig-Mori equations. The main results are microscopic expressions for…
Topological defects in crystalline lattices are considered. In relation to physical realizability of such defects, criteria for geometric compatibility of the lattice distortions are formulated. For 2D lattices it is shown that the answer…
The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
Atomic scale defects in semiconductors enable their technological applications and realization of novel quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab-initio calculations we determine the nature of…
In addition to topological lattice defects such as dislocations and disclinations, crystals are also accompanied by unavoidable ordinary defects, devoid of any non-trivial geometry or topology, among which vacancies, Schottky defects,…
The structural properties of the ROFeM (R=La, Nd; M=As, P) materials have been analyzed by means of electron diffraction, high-resolution transmission-electron microscopy (TEM) and in-situ cooling TEM observations. The experimental results…
We present a coherent filtering scheme which dramatically reduces the site occupation number defects for atoms in an optical lattice, by transferring a chosen number of atoms to a different internal state via adiabatic passage. With the…
We investigate topography-driven generation of defects in liquid crystals films coating frozen surfaces of spatially varying Gaussian curvature whose topology does not automatically require defects in the ground state. We study in…
A unified framework for analyzing the existence of ground states in wide classes of elastic complex bodies is presented here. The approach makes use of classical semicontinuity results, Sobolev mappinngs and Cartesian currents. Weak…
A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect…
Crystallographic defects play a key role in determining the properties of crystalline materials. The new class of two-dimensional materials, foremost graphene, have enabled atomically resolved studies of defects, such as vacancies, grain…
Architected materials produced by powder bed fusion metal additive manufacturing technique offer realization of complex structural hierarchies that mimic the principles of crystal plasticity while still being ultralight-weight, though…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
Recent developments in materials informatics and artificial intelligence has led to the emergence of foundational energy models for material chemistry, as represented by the suite of MACE-based foundation models, bringing a significant…
Although fabrication capabilities of Silicon Dangling Bonds have rapidly advanced from manual labor-driven laboratory work to automated manufacturing in just recent years, sub-nanometer substrate defects still pose a hindrance to production…