Related papers: An Atom-Pair Bond Theory for the Alloying of Metal…
We present an application of the generalised proximity effect theory.
In this work we introduce a metal-oxide bond-energy model for alloy oxides based on pure-phase bond energies and bond synergy factors that describe the effect of alloying on the bond energy between cations and oxygen, an important quantity…
Electron accumulation in interatomic regions is a fundamental quantum phenomenon dictating chemical bonding and material properties, yet its origin remains elusive across disciplines. Here, we report a quantum accumulation effect --…
The experimental critical temperature of systems of nanoparticles superconducting (Pb) and normal (Ag, Cu and Al) with a random distribution and sizes less than their respective coherence lengths, is governed by proximity effect as the…
A model Hamiltonian describing a two-level system with a crossing plus a pairing force is investigated using technique of large-amplitude collective motion. The collective path, which is determined by the decoupling conditions, is found to…
Analysis of various mass relations connected with neutron-proton correlations in atomic nuclei is carried out. On the example of $N = Z$ chain it is shown that for self-adjoint nuclei various formulas proposed in literature for $ np $…
Axion-like particles (ALPs) are predicted in many extensions of the Standard Model, and their masses can naturally be well below the electroweak scale. In the presence of couplings to electroweak bosons, these particles could be emitted in…
The polar covalent bond between a single Au atom terminating the apex of an atomic force microscope tip and a C atom of graphene on SiC(0001) is exposed to an external electric field. For one field orientation the Au-C bond is strong enough…
We introduce a theory of chemical bond with a corpuscular picture of electrons. It employs a minimal set of localized electron wave packets with 'floating and breathing' degrees of freedom and the spin-coupling of non-orthogonal…
The parameters of many-body potentials for Co, Nb and Zr metals, based on the embedded-atom method, have been systematically derived. The analytical potential scheme allows us to reproduce correctly the cohesive energies and structural…
This paper presents theoretical and experimental studies on the superconductivity of Pb${_{0.64}}$Bi$_{0.36}$ alloy, which is a prototype of strongly coupled superconductors and exhibits one of the strongest coupling under ambient pressure…
It has been extensively demonstrated through first principles quantum mechanics calculations that water exhibits strong hydrogen bond cooperativity. Classical molecular simulation and statistical mechanics methods typically assume pairwise…
The Aharonov-Bohm (AB) effect on the thermoelectric properties of three-terminal quantum devices is investigated. Thermodynamic relations among the linear-response coefficients of these devices are derived and interpreted. General…
A pion-quark pairing temperature is defined by a BCS-like relation identified from a quark-level Goldberger-Treiman relation with a Nambu scalar mass "gap parameter" taken in the low-mass limit. This intuitive relation predicts the…
Based on the quantum two-body problem introduced in [arXiv:1604.06693] we consider bound pairs of electrons moving on the positive half-line. The analysis is motivated by the ground-breaking work of Cooper who identified the pairing of…
Positron binding to silver and gold atoms was studied using a fully {\it ab initio} relativistic method, which combines the configuration interaction method with many-body perturbation theory. It was found that the silver atom forms a bound…
We use the recently developed soft-potential-enhanced Poisson-Boltzmann (SPB) theory to study the interaction between two parallel polyelectrolytes (PEs) in monovalent ionic solutions in the weak-coupling regime. The SPB theory is fitted to…
It is well known that the Poisson-Boltzmann (PB) equation yields the exact counterion density around charged objects in the weak coupling limit. In this paper we generalize the PB approach to account for coupling of arbitrary strength by…
We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways through use of the uniform electron gas as a joint reference. We…
We investigate a solid-state, reversible, alkali-ion battery (AIB) capable of regulating the density of alkali atoms in a vacuum system used for the production of laser-cooled atoms. The cold-atom sample can be used with in-vacuum…