December 19, 2009
We examine the molecular-atomic transition in liquid hydrogen as it relates to metallization. Pair potentials are obtained from first principles molecular dynamics and compared with potentials derived from quadratic response. The results provide insight into the nature of covalent bonding under extreme conditions. Based on this analysis, we construct a schematic dissociation-metallization phase diagram and suggest experimental approaches that should significantly reduce the p...
July 10, 2019
The dielectric response of materials underpins electronics and photonics. Established semiconductor materials have a narrow range of dielectric susceptibility, with low-frequency values on the order of 10. Strong and variable dielectric response in wide-band gap materials is associated with complex crystal structures and heavier elements. Based on underlying chemical trends, we hypothesize that chalcogenides in crystal structures common to complex oxides may feature many high...
January 16, 2015
Nitrides in many ways are fascinating since they often appear as superconductors, high energy density and hard materials. Though there exist a large variety of nitrides, noble gas nitrides are long missing in nature. Pursuit of noble gas nitrides has therefore become the subject of topical interests, but remains as a great challenge since molecular nitrogen (N2, a major form of nitrogen) and noble gases are both inert systems and do not interact at normal conditions. We show ...
July 26, 2007
We use the mean crossover functions [Garrabos and Bervillier, Phys Rev. E 74, 021113 (2006)] estimated from the bounded results of the Massive Renormalization scheme applied to the $\Phi_{d}^{4}(n)$ model in three dimensions ($d=3$) and scalar order parameter ($n=1$) [Bagnuls and Bervillier, Phys. Rev. E 65, 066132 (2002)], to represent the singular behavior of the isothermal compressibility of xenon along the critical isochore in the homogeneous preasymptotic domain. The val...
April 16, 2018
$^{129}$Xe is an important candidate for the searches of electric dipole moments due to violations of time-reversal and parity violations in diamagnetic atoms. In view of the similarities between the electric dipole moment and the polarizability from the point of view of many-body theory, we have performed rigorous calculations of the ground state polarizability of $^{129}$Xe using a self consistent relativistic coupled-cluster method and the relativistic normal coupled-clust...
May 28, 2018
Atomic metallic hydrogen has been produced in the laboratory at high pressure and low temperature, prompting further investigations of its different properties. However, purely experimental approaches are infeasible because of the extreme requirements in producing and preserving the metastable phase. Here we perform a systematic investigation of the electronic, optical, mechanical and thermal properties of $I4_1/amd$ hydrogen at 495 GPa using first-principles calculations. We...
February 12, 2008
The question is raised about the pressure effects on the polarizability and dispersive binding in ionic and molecular systems. As an example we take the effect of hydrostatic pressure on the energy gap of phonon-coupled two-level systems. Assuming a positive pressure coefficient for the gap, we predict a gradual transition from small vibronic polarons to large polarons as the pressure is increased at constant coupling energy of a two-level system. Concomitantly, the universal...
June 13, 2006
We discuss some aspects of cold atomic gases in the unitarity limit that are of interest in connection with the physics of dense hadronic matter. We consider, in particular, the equation of state at zero temperature, the magnitude of the pairing gap, and the phase diagram at non-zero polarization.
November 19, 2021
Analytical equation of state for pure alkali metals (lithium, sodium, potassium, rubidium and cesium) in equilibrium gas phase is proposed. This equation has a simple form, generalizes the equation of state for a perfect gas and is universal for all alkali elements. It correctly reproduces the experimental data for the equilibrium gas phase over a wide range of pressures (up to $\sim 10^5$~Pa) and temperatures (up to $\sim 3 \cdot 10^3$~K). On the basis of this equation of st...
June 12, 1998
This paper investigates the possibility of suppressing the ionization rate in a magnetostatic trap of metastable neon atoms by spin-polarizing the atoms. Suppression of the ionization is critical for the possibility of reaching Bose-Einstein condensation with such atoms. We estimate the relevant long-range interactions for the system, consisting of electric quadrupole-quadrupole and dipole-induced dipole terms, and develop short-range potentials based on the Na_2 singlet and ...