June 1, 1999
It is shown that some of the physical properties of inert gas (IG) condensates (polarizability, compressibility, metallization under pressure, equation of state) may be well described taking into account the first excited state of atoms only. The Herzfeld criterion of metallization well corresponds to the Mott transition criterion and to the percolation threshold. For metallic xenon concentration of the molecular type excitations corresponds to the Bose condensation temperature $T_C\sim 4000K$. The BCS formula gives $T_c\sim 5000K$. If phonons are changed by fluctuations of interatomic interaction energy. A simple relations between the parameters of atoms at metallization has been found.
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February 26, 1999
It is demonstrated that the point of view that metallization of xenon as a result of a band - gap closure has some discrepancies with experimental result. A superconductivity transition as an alternative possibility is examined. At such supposition critical temperature of superconductivity transition T is about 5000 K. A mechanism of inert gas condensation by virtual excitations of molecular type is discussed.
March 5, 2001
A possibility of explaining the light absorption observed to occur under pressure-induced xenon metallization as due to the transition to the superconducting state is analyzed. The mechanism of the van der Waals bonding is discussed.
May 12, 2010
Quantum molecular dynamic (QMD) simulations have been applied to study the thermophysical properties of liquid xenon under dynamic compressions. The equation of state (EOS) obtained from QMD calculations are corrected according to Saha equation, and contributions from atomic ionization, which are of predominance in determining the EOS at high temperature and pressure, are considered. For the pressures below 160 GPa, the necessity in accounting for the atomic ionization has be...
February 3, 2003
The paper discusses a model of Van der Waals crystals in which band-gap structures do not form. An effect of strong and chaotic electron-electron repulsion, which was excluded from consideration in the traditional approach, is taken into account. A condensate exists as a result of a dynamic equilibrium among atoms acted upon by constant Van der Waals forces and periodically forming and disappearing covalent bonding. One part of atoms is, on the average, in the ground, and the...
April 19, 2005
We investigated numerically the high-temperature/high-pressure phase diagram of Xenon as modelled through the exp-6 interaction potential, which is thought to provide a reliable description of the thermal behaviour of rare gases under extreme conditions. We performed a series of extensive NVT Monte Carlo simulations which, in conjunction with exact computation of the solid free energy by the Frenkel-Ladd method, allowed us to precisely locate the freezing and the melting thre...
March 14, 2022
A growing body of theoretical and experimental evidence suggests that inert gases (He, Ne, Ar, Kr, Xe, Rn) become less and less inert under increasing pressure. Here we use the ab initio evolutionary algorithm to predict stable compounds of Xe and Na at pressures below 100 GPa, and find three stable compounds, NaXe, NaXe$_3$ and NaXe$_4$. The NaXe belongs to a well-known cubic CsCl structure type. The NaXe$_4$'s structure is common in amphiboles, whereas the NaXe$_3$ has a un...
May 13, 1999
This is a short review of the main results on the equation of state of a Bose gas.Some known results are expressed in a new form,and their possible applications in astrophysics and solid state physics are pointed out.
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We present a description of the electronic structure of xenon within the density-functional theory formalism with the goal of accurately modeling dark matter-induced ionisation in liquid xenon detectors. We compare the calculated electronic structures of the atomic, liquid and crystalline solid phases, and find that the electronic charge density and its derivatives in momentum space are similar in the atom and the liquid, consistent with the weak interatomic van der Waals bon...
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Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox. Using the ab initio evolutionary algorithm, we predict the thermodynamical stabilization of Xe-O compounds at high pressures (XeO, XeO2 and XeO3 at pressures above 83, 102 and 114 GPa, respectively). Our calculations indicate large charge tra...
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A simple model of the molecular crystal of $N$ atoms as a statistical mixture in real space of $NX$ atoms in excited and $N(1-X)$ atoms in well localized ground state is considered. The phase coherence of the atomic wave functions is suppose to be absent. A bond energy of crystal is supposed to be a result of the pair interaction of $NX$ excited atoms. These molecular type pair excitations do not interact one with another before the metallization, and do not contribute to the...