Abstract
The expressions for the Debye temperature Θ as well as for the first (γ = −[∂ln(Θ)/∂ln(V)] T ) and second (q = [∂ln(γ)/∂ln(V)] T ) Grüneisen parameters are derived based on the Mie-Lennard-Jones pair atomic interaction potential. The conditions imposed on the Θ(V/V 0), γ(V/V 0), and q(V/V 0) dependences for V/V 0 → 0 and for V/V 0 → ∞ are analyzed. Here, V/V 0 is the ratio of the molar volumes for pressure P at temperature T and for P = 0 at T = 0 K. Calculations are performed for crystals of parahydrogen and orthodeuterium at T = 0 K for V/V 0 ranging from 1.30 to 0.01. Good agreement is reached between the calculated dependences and experimental data. The behavior of dependences Θ(V/V 0), γ(V/V 0), and q(V/V 0) upon a variation of the isotopic composition of the crystal is analyzed.
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Original Russian Text © M.N. Magomedov, 2013, published in Zhurnal Tekhnicheskoi Fiziki, 2013, Vol. 83, No. 9, pp. 56–62.
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Magomedov, M.N. On the Debye temperature and Grüneisen parameters for hexagonal close-packed crystals consisting of p-H2 and o-D2 molecules. Tech. Phys. 58, 1297–1303 (2013). https://doi.org/10.1134/S106378421309020X
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DOI: https://doi.org/10.1134/S106378421309020X