Related papers: Defect processes in Be$_{12}$X Beryllides
Nickel ditelluride (NiTe2), a new discovered type-II Dirac semimetal whose Dirac node lies close to its Fermi level, is expected to exhibit exotic phenomena including Lifshitz transition and superconductivity. As we know, defects are…
We study the density of states and magnetotransport properties of disordered Weyl semimetals, focusing on the case of a strong long-range disorder. To calculate the disorder-averaged density of states close to nodal points, we treat exactly…
(abridged) Aims: We present new results exhibiting a subcritical baroclinic instability (SBI) in local shearing box models. We describe the 2D and 3D behaviour of this instability using numerical simulations and we present a simple…
This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to actively design them. We demonstrate this new learning in…
The presence of nonmagnetic impurities in a 2D ``bad metal'' depresses the superconducting Berezinskii-Kosterlitz-Thouless transition temperature, while leaving the pairing energy scale unchanged. Thus the region of the pseudogap…
Patterning and defect engineering are key methods to tune 2D materials' properties. However, generating 2D periodic patterns of point defects in 2D materials has been elusive until now, despite the well-established methods for creating…
The problem of melting a crystal dendrite is modelled as a quasi-steady Stefan problem. By employing the Baiocchi transform, asymptotic results are derived in the limit that the crystal melts completely, extending previous results that hold…
ZrTe5 is a highly tunable, high-mobility topological material that hosts a rich variety of quantum phenomena, making it a promising platform for next-generation quantum technologies. Despite intensive research efforts, experimental studies…
Engineering single atomic defects into wide bandgap materials has become an attractive field in recent years due to emerging applications such as solid-state quantum bits and sensors. The simplest atomic-scale defect is the lattice vacancy…
In this work, we calculate the defect properties of low-symmetry Pb interstitials in PbTe using first-principles density-functional theory calculations. We break the symmetry imposed on on-centered interstitial defects and show that the…
We consider simulations of Wigner crystals interacting with random quenched disorder in the presence of thermal fluctuations. When quenched disorder is absent, there is a well defined melting temperature determined by the proliferation of…
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point…
We calculate the energetic structure of defect cores and propose controlled methods to imprint a nontrivially entangled vortex pair that undergoes non-Abelian vortex reconnection in a biaxial nematic spin-2 condensate. For a singular…
In this work we study the structural stability and electronic properties of the Beryllium sulphide nanowires (NWs) in both zinc blende (ZB) and wurtzite (WZ) phases with triangle and hexagonal cross section, using first principle…
Multichannel quantum defect theory is applied in the treatment of the dissociative recombination and vibrational excitation processes for the BeD$^+$ ion in the twenty four vibrational levels of its ground electronic state…
We derive exact results for the fluctuations in energy produced by microscopic disorder in near-crystalline athermal systems. Our formalism captures the heterogeneity in the elastic energy of polydispersed soft disks in energy-minimized…
We consider a 2D XY model subjected to time-correlated noise, a model of direct relevance to active crystals, which were shown recently to be able to support very large deformations without melting in the presence of persistent…
In this paper we present results of ab-initio calculations for the beryllium dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic interaction energy of the system is determined using the frozen-core full configuration…
The planar front of a growing a crystal is often destroyed by instabilities. In the case of growth from a condensed phase, the most frequent ones are diffusion instabilities, which will be but briefly discussed in simple terms in chapter…
We present a comprehensive study of the electronic structure of the layered semiconductor InSe using density functional theory. We calculate the band structure of the monolayer and bulk material with the band gap corrected using hybrid…