The Solid State of Rare Gases

Competing effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices

“…As a result of comparison, differences between the interaction energies by the ab initio method and the pairwise-additive model were calculated to be The MC simulations were performed for XeBeO in solid Xe and Ar and for ArBeO in solid Ar under the periodic boundary condition (PBC) at temperature of T = 30 K. The fcc lattice was taken as a starting point for the initial configuration and 500 Xe (500 Ar) atoms were placed in a cubic box with a cell length of 30.6 Å (26.6 Å), which yields a density of 3.78 g/cm 3 (1.76 g/cm 3 ) and is close to the experimental value at the saturated vapor condition. 18 There are several possible sites at which Rg atom(s) can be substituted by RgBeO. As shown in Figure 4, one or two Rg atoms along the three possible orientations were replaced with a single RgBeO and these configurations were used to initiate MC simulations.…”

Approximate Phonon Frequency Distributions for FCC Lennard--Jones Harmonic Crystals.

“…3 we show the approach of the vibrational energy -23- Table Captions Table I: Parameter for Some Cases of Interest. A discussion of these parameters for the rare gas solids may be found in references [14] and [15]. For the case of…”

Measurement of the volume dependence of the heat capacity of solid neon

“…When T/Gg is large the upper limit is small and the integrand can be ex panded to give dz=l (1-10) 0 z ^ or C\/ = 3Nkg, (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11) which is the Dulong and Petit Law. At very low temperatures Qp/T is large and may be taken to be infinity for all practical purposes.…”

“…At very low temperatures Qp/T is large and may be taken to be infinity for all practical purposes. The integral then is 4 % /15 from standard tables and S = "kg (^) , (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12) 3 which is the famous Debye T -law of specific heats.…”

“…The results of these experiments indicate a need for more sophisticated theoretical models and inHeeH have encouraaed theorists to improve their earlier, less complex ideas. The major trends in these developments are outlined in a series of review articles, in 1957 Dobbs and Jones (1) and in 1964 Pollack (2) gave extensive references to theoretical and experimental work. Boato (3) also has written a review article but with relatively few references.…”