Related papers: Aperiodic defects in periodic solids
Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…
Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even after being renormalised…
Point defects play a crucial role in crystalline materials as they do not only impact the thermodynamic properties but are also central to kinetic processes. While they are necessary in thermodynamic equilibrium spontaneous defect formation…
Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials. Given their crucial importance yet inherent difficulty in measuring experimentally, computational methods…
A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects in quantum technologies. This is a considerable challenge…
When a system which contains a dipole, and whose dimensionality is less than three, is studied in a code which imposes periodic boundary conditions in all three dimensions, an artificial electric field arises which keeps the potential…
Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While embedding techniques alleviate finite-size effects and…
We show that very simple theories of abelian gauge fields with a cubic Chern-Simons term in 5d have an infinite number of non-invertible co-dimension two defects. They arise by dressing the symmetry operators of the broken electric 1-form…
Embedded defects proposed long ago (Z-vortices and Nambu monopoles) have been successfully searched for in 3D equilibrium lattice studies within the standard model near the electroweak phase transition and the crossover (which follows it…
Defects in superfluid 3He, high-Tc superconductors, QCD colour superfluids and cosmic vortons can possess (anti)ferromagnetic cores, and their generalisations. In each case there is a second order parameter whose value is zero in the bulk…
Point defects have a strong influence on the physical properties of materials, often dominating the electronic and optical behavior in semiconductors and insulators. The simulation and analysis of point defects is therefore crucial for…
In recent decades, the defect of finite extensions of valued fields has emerged as the main obstacle in several fundamental problems in algebraic geometry such as the local uniformization problem. Hence, it is important to identify…
The tenfold classification provides a powerful framework for organizing topological phases of matter based on symmetry and spatial dimension. However, it does not offer a systematic method for transitioning between classes or engineering…
We present an inverse scattering approach to defects in classical integrable field theories. Integrability is proved systematically by constructing the generating function of the infinite set of modified integrals of motion. The…
Problems of flexible mechanical metamaterials, and highly deformable porous solids in general, are rich and complex due to nonlinear mechanics and nontrivial geometrical effects. While numeric approaches are successful, analytic tools and…
Higher-form symmetries are a valuable tool for classifying topological phases of matter. However, emergent higher-form symmetries in interacting many-body quantum systems are not typically exact due to the presence of topological defects.…
Geometrical model for material Dirac wave field and for Maxwell electromagnetic field is suggested where above fields are considered as propagating regions of the space itself with distorted euclidean geometry. It is shown that equations…
Topological/perfectly-transmissive defects play a fundamental role in the analysis of the symmetries of two dimensional conformal field theories (CFTs). In the present work, spin chain regularizations for these defects are proposed and…
Neural network models often face challenges when processing very small or very large numbers due to issues such as overflow, underflow, and unstable output variations. To mitigate these problems, we propose using embedding vectors for…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…