相关论文: Defect processes in Be$_{12}$X Beryllides
Extensive studies have been performed on layered compounds, ranging from layered cuprates to van der Waals materials with critical issues of intergrowths and stacking faults. However, such structures have been studied less because of…
The most energetically favourable arrangement of low-density electrons in an infinite two-dimensional plane is the ordered triangular Wigner lattice. However, in most instances of contemporary interest one deals instead with finite clusters…
Previous studies indicated that intrinsic point defects play a crucial role for the density of states of ferromagnetic half-metals in the band gap region: At large concentrations, defect-derived bands might close the gap at the Fermi energy…
Recent experiment has uncovered semimetal bismuth (Bi) as an excellent electrical contact to monolayer MoS$_2$ with ultralow contact resistance. The contact physics of the broader semimetal/monolayer-semiconductor family beyond Bi/MoS$_2$,…
A pronounced local in-gap zero-energy bound state (ZBS) has been observed by recent scanning tunneling microscopy (STM) experiments on the interstitial Fe impurity (IFI) and its nearest-neighboring (nn) sites in…
We present observations of the Be II 313.0 nm resonance doublet in 14 halo and old disk stars with metallicities ranging from [Fe/H]=-0.4 to about -3.0 obtained with the CASPEC spectrograph of the ESO 3.6m telescope at a FWHM about 8.6 km/s…
We consider an experimentally realizable model of non-interacting but randomly coupled atoms in a two-dimensional optical lattice. By choosing appropriate real or complex-valued random fields and species-dependent energy offsets, this…
Distinct shortcomings of individual halide perovskites for solar applications, such as restricted range of band gaps, propensity of ABX3 to decompose into AX+BX2, or oxidation of 2ABX3 into A2BX6 have led to the need to consider alloys of…
Using hybrid density functional theory combined with a semiempirical van der Waals dispersion correction, we have investigated the structural and electronic properties of vacancies and self-interstitials in defective few-layer phosphorene.…
How topological defects, unavoidable at symmetry-breaking phase transitions in a wide range of systems, evolve through consecutive phase transitions with different broken symmetries remains unexplored. Nd2SrFe2O7, a bilayer ferrite,…
Vortices are topological objects formed in coherent nonlinear systems. As such they are studied in a wide number of physical systems and promise applications in information storage, processing, and communication. In semiconductor…
In this paper we develop a gapless theory of BEC which can be applied to both trapped and homogeneous gases at zero and finite temperature. The many-body Hamiltonian for the system is written in a form which is approximately quadratic with…
Among all-inorganic halide perovskites, the only known ferroelectrics are the family of CsGeX$_3$ (X = Cl, Br, I). Here, we study their ferroelectric domain walls (DWs) and common point defects by density functional theory (DFT)…
Observations suggest that configurations of points on a sphere that are stable with respect to a Riesz potential distribute points uniformly over the sphere. Further, these stable configurations have a local structure that is largely…
The beryllides MBe13 (M = rare earths and actinides) crystallize in a NaZn13-type cubic structure, which can be categorized as a cage-structured compound. In this study, powder X-ray diffraction measurements have been performed on LaBe13,…
The effect of short-range disorder in nodal line semimetals is studied by numerically exact means. For arbitrary small disorder, a novel semimetallic phase is unveiled for which the momentum-space amplitude of the ground-state wave function…
Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…
When the spectrum of magnetic excitations of a quantum mixture is much softer than the density spectrum, the system becomes effectively incompressible and can host magnetic defects. These are characterized by the presence of a topological…
We present structural, electrical, and thermoelectric potential measurements on high-quality single crystals of ZrTe$_{1.8}$ grown from isothermal chemical vapor transport. These measurements show that the Te-deficient ZrTe$_{1.8}$, which…
The quasiparticle spectra of interacting Weyl and nodal-line semimetals on a cubic lattice are studied using the cluster perturbation theory. By tracking the spectral functions under interaction, we find that the Weyl points will move to…