The second Grüneisen constant of CsCl and CsI |
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Authors: | JF Vetelino JL Sutherland SS Mitra |
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Institution: | Department of Electrical Engineering, University of Maine, Orono, Maine 04473, U.S.A.;Laboratoire des Hautes Pressions, CNRS, 92 Bellevue, France |
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Abstract: | The first order volume dependence of the Grüneisen constant, commonly known as the second Grüneisen constant, has been obtained in a quasi-harmonic approximation as a function of temperature for CsCl and CsI. The calculations are performed using a volume dependent modified rigid ion model of lattice dynamics. The variation of the microscopic second mode-Grüneisen parameter as a function of wave vector in various directions of high symmetry is also calculated. The theoretically calculated second Grüneisen constants are compared to the values calculated using available thermodynamic data. |
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