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Topological defects, such as vortices and skyrmions in magnetic and dipolar systems, can give rise to properties that are not observed in typical magnets and dielectrics. Here, we report the discovery of long-range ordered periodic dipole…
The present study is devoted to the possibility that tri-atomic molecules were formed during or shortly after the Big Bang. For this purpose we consider the ordinary $H_3^{+}$ and $H_3$ and the primitive tri-atomic molecular system,…
Polycrystalline samples of NbB2+x with nominal composition (B/Nb) = 2.0, 2.1, 2.2, 2.3, 2.4 and 2.5 were studied by X-ray photoelectron spectroscopy (XPS). The spectra revealed Nb and B oxides on the surface of the samples, mainly B2O3 and…
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the…
While amorphous materials are often approximated to have a statistically homogeneous atomic structure, they frequently exhibit localized structural heterogeneity that challenges simplified models. This study uses 4D scanning transmission…
The existence of thresholdless vortex solitons trapped at the core of disclination lattices that realize higher-order topological insulators is reported. The study demonstrates the interplay between nonlinearity and higher-order topology in…
We study the hydrogen storage properties of planar boron sheets and compare them to those of graphene. The binding of molecular hydrogen to the boron sheet (0.05 eV) is stronger than that to graphene. We find that dispersion of alkali metal…
We explore three-body binary formation (3BBF), the formation of a bound system via gravitational scattering of three initially unbound bodies (3UB), using direct numerical integrations. For the first time, we consider systems with unequal…
Harnessing electronic excitations involving coherent coupling to bosonic modes is essential for the design and control of emergent phenomena in quantum materials [1]. In situations where charge carriers induce a lattice distortion due to…
In this work, we addressed the effects of Y$^{3+}$ and Nd$^{3+}$ cations on the adsorption of the whey protein $\beta$-lactoglobulin (BLG) at air-water interfaces as a function of electrolyte concentration. Both cations caused very similar…
The concept of optically addressable spin states of deep level defects in wide band gap materials is successfully applied for the development of quantum technologies. Recently discovered negatively charged boron vacancy defects (VB) in…
We perform the first-principles many-body GW and Bethe-Salpeter equation (BSE) calculations on the two-dimensional hexagonal boron nitride (2D-hBN) to explore the effects of opposite atoms on the electronic structure and linear one-photon…
At the moment of deepest core collapse, a star cluster core contains less than ten stars. This small number makes the traditional treatment of hard binary formation, assuming a homogeneous background density, suspect. In a previous paper,…
The stacking orders in layered hexagonal boron nitride bulk and bilayers are studied using high-level ab initio theory (local second-order Moller-Plesset perturbation theory, LMP2). Our results show that both electrostatic and London…
We have investigated the coarsening mechanism of intergranular Cr-rich M2B borides after creep and annealing at 850C for approximately 3000 hours in a polycrystalline nickel-based superalloy. Borides were found to be coarser after creep,…
The measurement of hydrogen induced changes on the electronic structure of transition metal oxides by X-ray photoelectron spectroscopy is a challenging endeavor, since the origin of the photoelectron cannot be unambiguously assigned to…
In this paper, we study phase structure of a system of hard-core bosons with a nearest-neighbor (NN) repulsive interaction in a stacked triangular lattice. Hamiltonian of the system contains two parameters one of which is the hopping…
Whether the $N\bar{N}$ interaction could form a state or not is a long standing question, even before the observation of the $p\bar{p}$ threshold enhancement in 2003. The recent high statistic measurement in the $J/\psi \to \gamma…
\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three…
We propose a search strategy at the HL-LHC for a new neutral particle $X$ that couples to $W$-bosons, using the process $p p \rightarrow W^{\pm} X (\rightarrow W^{+} W^{-})$ with a tri-$W$-boson final state. Focusing on events with two…