Related papers: Defect processes in Be$_{12}$X Beryllides
Ruddlesden-Popper hybrid iodide 2D perovskites are put forward as stable alternatives to their 3D counterparts. Using first-principles calculations, we demonstrate that equilibrium concentrations of point defects in the 2D perovskites…
A density functional theory is used to predict the binding energy of atomic and molecular impurities (Ne, Ar, Kr, Xe, Li, Na, K, Rb, Cs, and SF$_6$) in the center of $^4$He clusters, in the limit of zero temperature and for zero angular…
Employing a renormalization group analysis that allows for an unbiased treatment of competing physical ingredients, we systematically trace how the interplay between Cooper pairing and disorder scatterings governs the emergence or…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
Ab initio calculation results for the electronic structure of disordered bcc Fe(x)Al(1-x) (0.4<x<0.75), Co(x)Al(1-x) and Ni(x)Al(1-x) (x=0.4; 0.5; 0.6) alloys near the 1:1 stoichiometry, as well as of the ordered B2 (FeAl, CoAl, NiAl)…
Weyl semimetals are gapless quasi-topological materials with a set of isolated nodal points forming their Fermi surface. They manifest their quasi-topological character in a series of topological electromagnetic responses including the…
We study the instabilities of a particle-hole symmetric Weyl metal with both electron and hole Fermi surfaces (FS) around the Weyl points. For a repulsive interaction, we find that the leading instability is towards a longitudinal…
Point defect species and concentrations in metastable Fe-C alloys are determined using density functional theory and a constrained free-energy functional. Carbon interstitials dominate unless iron vacancies are in significant excess,…
We predict the existence of stable fundamental and vortical bright solitons in dipolar Bose-Einstein condensates (BECs) with repulsive dipole-dipole interactions (DDI). The condensate is trapped in the 2D plane with the help of the…
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…
We use density functional theory (DFT) to study the thermodynamic stability and migration of copper ions and small clusters embedded in amorphous silicon dioxide. We perform the calculations over an ensemble of statistically independent…
Three-dimensional topological semimetals host a range of interesting quantum phenomena related to band crossing that give rise to Dirac or Weyl fermions, and can be potentially engineered into novel quantum devices. Harvesting the full…
Combining high resolution scanning tunneling microscopy and first principle calculations, we identified the major native defects, in particular the Se vacancies and Se interstitial defects that are responsible for the bulk conduction and…
We analyze the effect of adding quenched disorder along a defect line in the 2D conformal minimal models using replicas. The disorder is realized by a random applied magnetic field in the Ising model, by fluctuations in the ferromagnetic…
The instabilities of the nontrivial phase elliptic solutions in a repulsive Bose-Einstein condensate (BEC) with a periodic potential are investigated. Based on the defocusing nonlinear Schr\"{o}dinger (NLS) equation with an elliptic…
The equilibrium behavior of vortices in the classical two-dimensional (2D) XY model with uncorrelated random phase shifts is investigated. The model describes Josephson-Junction arrays with positional disorder, and has ramifications in a…
In this paper, we present the structural, electronic, magnetic and transport properties of a equiatomic quaternary alloy NbVTiAl. The absence of (111) and (200) peaks in X-ray diffraction (XRD) data confirms the A2-type structure.…
We investigate the low-energy scaling behavior of an interacting 3D Weyl semimetal in the presence of disorder. In order to achieve a renormalization group analysis of the theory, we focus on the effects of a short-ranged-correlated…
The interplay of disorder and spin-fluctuation effects in a disordered antiferromagnet is studied. In the weak-disorder regime (W \le U), while the energy gap decreases rapidly with disorder, the sublattice magnetization, including quantum…
We consider dipole oscillations of a trapped dilute Bose-Einstein condensate in the presence of a scattering potential consisting either in a localized defect or in an extended disordered potential. In both cases the breaking of…