相关论文: Defects in quasicrystals, revisited I-flips, appro…
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…
It is argued that the prevailing definition of quasicrystals, requiring them to contain an axis of symmetry that is forbidden in periodic crystals, is inadequate. This definition is too restrictive in that it excludes an important and…
Elastic description of planar quasicrystals can be formulated as an interplay between two Goldstone fields corresponding to phonon and phason degrees of freedom. We reformulate this description as a gauge theory with one gauge field that is…
An introduction to the defects which dominate the physics of superfluid He$^4$ films, of superconducting slabs and of crystalline and hexatic membranes is given. We first review point vortices in two-dimensional neutral superfluids and…
Quasicrystals, realized in metal alloys, are a class of lattices exhibiting symmetries that fall outside the usual classification for periodic crystals. They do not have translational symmetry and yet the lattice points are well ordered.…
A dislocation, just like a phonon, is a type of atomic lattice displacement but subject to an extra topological constraint. However, unlike the phonon which has been quantized for decades, the dislocation has long remained classical. This…
Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators.…
Metric anomalies arising from a distribution of point defects (intrinsic interstitials, vacancies, point stacking faults), thermal deformation, biological growth, etc. are well known sources of material inhomogeneity and internal stress. By…
3C-SiC epitaxially grown on Si displays a large wealth of extended defects. In particular, single, double and triple stacking faults (SFs) are observed in several experiments to coexist. Overabundance of defects has so far limited the…
A comparative study of fracture in Al is carried out by using quantum mechanical and empirical atomistic description of atomic interaction at crack tip. The former is accomplished with the density functional theory (DFT) based…
We disagree with a number of statements by Dolinsek et al. about the specificity of phason dynamics in quasicrystals (QCs).
The appealing connection between non-Euclidean geometries and defects in solids is brought forth in this article. Drawing a correspondence between the nature of a defect and a specific geometric property of the material space not only…
Quasicrystals can be considered, from the point of view of their electronic properties, as being intermediate between metals and insulators. For example, experiments show that quasicrystalline alloys such as AlCuFe or AlPdMn have…
Crystals and quasicrystals can be characterized by an order that is a purely geometric property of an instantaneous configuration, independent of particle dynamics or interactions. Glasses, on the other hand, are ostensibly amorphous…
Quasiperiodic arrangements of the constitutive materials in composites result in effective properties with very unusual electromagnetic and elastic properties. The paper discusses the cut-and-projection method that is used to characterize…
Describing the deviation of a real structure from a hypothetical higher-symmetry ideal can be a powerful tool to understand and interpret phase transitions. Here we introduce a simple yet effective metric that quantifies the degree of unit…
We elucidate the origin of large differences (two-fold or more) in the fixed-node errors between the first- vs second-row systems for single-configuration trial wave functions in quantum Monte Carlo calculations. This significant difference…
Quasi-particle interference (QPI) is a powerful tool to characterize the symmetry of the superconducting order parameter in unconventional superconductors, by mapping the spatial dependence of elastic tunneling of electrons between the tip…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…
Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…