Related papers: Stability and proton exchange in Te(OH)6
We generalize, and then use, a recently introduced formalism to study thermal fluctuations of atomic displacements in several two and three dimensional crystals. We study both close packed as well as open crystals with multi atom bases.…
We study heterogeneities in a binary Lennard-Jones system below the glass transition using molecular dynamics simulations. We identify mobile and immobile particles and measure their distribution of vibrational amplitudes. For temperatures…
From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to…
The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time…
We present a study of the local structure of high pressure hydrogen around the liquid-liquid transition line based on results from the Coupled Electron-Ion Monte Carlo method. We report results for the Equation of State, for the radial…
The quantum mechanics of two-electron systems is reviewed, starting with the ground state of the helium atom and helium-like ions, with central charge $Z\ge 2$. For Z=1, demonstrating the stability of the negative hydrogen ion, H$^-$,…
We consider the noncommutative algebra which is rotationally invariant. The hydrogen atom is studied in a rotationally invariant noncommutative space. We find the corrections to the energy levels of the hydrogen atom up to the second order…
We study the liquid-solid transition in a collection of interacting particles moving through a dissipative medium under the action of a constant, spatially uniform external force, e.g. a charge-stabilized suspension in a fluidized bed or a…
Experimental investigations of the phase transition in GeTe provide contradictory conclusions regarding the nature of the phase transition. Considering growing interest in technological applications of GeTe, settling these disputes is of…
We study a parabolic differential equation whose solution represents the atom dislocation in a crystal for a general type of Peierls-Nabarro model with possibly long range interactions and an external stress. Differently from the previous…
We study a microscopically realistic model of a physical gel and use computer simulations to investigate its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a…
A survey of the stability of matter problem is given, starting with the stability of the hydrogen atom. The stablity of bulk matter with Coulomb potentials, with or without relativistic mechanics, and with or without magnetic fields is…
We study the homogenization of a linear kinetic equation which models the evolution of the density of charged particles submitted to a highly oscillating electric field. The electric field and the initial density are assumed to be random…
The static and dynamic properties of the alkaline-earth atoms in their metastable state are computed in a configuration interaction approach with a semi-empirical model potential for the core. Among the properties determined are the scalar…
We report the systematic synthesis, crystal structure, magnetization, and powder neutron diffraction of single crystalline and polycrystalline CaCo$_2$TeO$_6$ samples. CaCo$_2$TeO$_6$ crystallizes in an orthorhombic structure with $Pnma$…
We study the role of the unstable equilibrium points in the transfer of matter in a galaxy using the potential of a rotating triaxial system. In particular, we study the neighbourhood of these points for energy levels and for main model…
Photon-photon interactions mediated by an atomic gas can effect efficient polarization exchanges between two beams, leaving the medium exactly in its initial state. In, e.g., hydrogen, the distance required for macroscopic exchange is of…
Evidence is summarized attesting that the standard exchange field theory of ferromagnetism by Heisenberg has not been successful. It is replaced by the crystal field and a simple assumption that spin orientation is inexorably associated…
The investigation of the mobility \(\mu\) of quasi-free electrons in dense, cold helium gas as a function of its density \(N\) is made difficult by the fact that a significant fraction of electrons is localized in low mobility bubbles. The…
Fast rotation seems to be the major factor to trigger the Be phenomenon. Surface fast rotation can be favored by initial formation conditions such as metal abundance. Models of fast rotating atmospheres and evolutionary tracks are used to…