Related papers: On a Possible Melting Curve of C60 Fullerite
We study the thermodynamic properties of the high-temperature modification of fullerites on the basis of the Girifalco intermolecular potential. In the present work, using Lindemann's melting criterion, we estimate a possible melting curve…
On the basis of the correlative method of the unsymmetrized self-consistent field that yields the account of the strong anharmonicity of the lattice vibrations, it has been calculated the temperature dependence of saturated vapor pressure…
We study molecular properties of the high-temperature modification of fullerites. In the present work we calculate the intermolecular correlations and the mean square relative displacements in C60. The Girifalco intermolecular potential is…
Dimer C60 solids are monoclinic crystals with molecular longer axis aligned along the c-axis. A simple model based on atom-atom potential used to calculate various bulk, structural and thermodynamic properties of this fullerite, has also…
The prediction of the melting curve of metals by extrapolation to high pressures and temperatures based on the Lindemann-Gilvarry criterion (LG) assuming harmonic Debye solid is presented. The LG formulation uses the bulk modulus B and its…
The optical properties of C$_{60}$ single crystals, intercalated with nitrogen molecules, were investigated by the spectral-luminescence method in the temperature range 20 - 230 K. The saturation was carried out under the pressure of 30…
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as…
The melting transition of the five different lattices of a bilayer crystal is studied using the Monte-Carlo technique. We found the surprising result that the square lattice has a substantial larger melting temperature as compared to the…
The kinetics of sorption and subsequent desorption of argon gas by a C60 powder has been investigated in the temperature interval 58-290 K. The temperature dependence of the coefficients of Ar diffusion in fullerite has been obtained using…
Recent reports of the melting curve of sodium at high pressure have shown that it has a very steep descent after a maximum of around 1000K at 31 GPa. This is not due to a phase transition. According to the Lindemann criterion, this…
We report on the 13C spin-lattice relaxation times in polycristalline fullerite C60 measured over the temperature range 295 K to 1000 K. At temperatures above 470 K, spin-lattice relaxation is dominated by the spin-rotation interaction.…
The low temperature (2-24 K) thermal expansion of pure (single crystal and polycrystalline) C60 and polycrystalline C60 intercalated with He, Ne, Ar, and Kr has been investigated using high-resolution capacitance dilatometer. The…
The melting curve of aluminium has been determined from 0 to ~150 GPa using first principles calculations of the free energies of both the solid and liquid. The calculations are based on density functional theory within the generalised…
We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray diffraction experiments up to 120 GPa and 4000 K,…
We propose a general formula for the melting temperature of metals in terms of electronic mass, electronic number, and nearest-neighbor lattice distance. We derive it from the instability of the transverse phonon in the solid phase, using…
The heat capacity Cm of polycrystalline fullerite C60 doped with nitrogen has been measured in the temperature interval 2 - 13 K. The contributions to heat capacity from translational lattice vibrations (Debye contribution), orientational…
Optical properties of fullerite C$_{60}$ single crystals saturated with hydrogen and nitrogen molecules were studied in the temperature range from 20 K to 230 K using the spectral-luminescent method. Saturation was carried out under a…
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…
We report a study of the mode-coupling theory (MCT) glass transition line for the Girifalco model of C60 fullerene. The equilibrium static structure factor of the model, the only required input for the MCT calculations, is provided by…
In the framework of melting as a dislocation-mediated phase transition we derive an equation for the pressure dependence of the melting temperatures of the elements valid up to pressures of order their ambient bulk moduli. Melting curves…