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Volume dependent lattice dynamics of solid argon A pseudo‐harmonic approach
Author(s) -
Massa N. E.,
Mitra S. S.,
Vetelino J. F.
Publication year - 1979
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220940208
Subject(s) - thermodynamics , argon , thermal expansion , grüneisen parameter , lattice constant , harmonic , volume (thermodynamics) , materials science , lattice (music) , equation of state , condensed matter physics , force constant , physics , atomic physics , quantum mechanics , molecule , diffraction , acoustics
The volume dependent lattice dynamics of solid argon is calculated using a pseudo‐harmonic approach. The volume dependence of the elastic constants, from which the lattice dynamical model parameters are deduced, is obtained by relating the elastic constants to a m‐n pair potential of the Mie‐Lennard‐Jones type. The volume dependence of the phonon states is used to obtain the first and second Grüneisen parameters and constants. The thermal expansion coefficient is then calculated from the Grüneisen parameters in the quasi‐harmonic approximation. Finally, the Mie‐Grüneisen equation of state and the Lindemann melting criterion are combined to predict the melting curve of argon. Reasonable agreement is obtained between the calculated and experimental results.