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Title: High-pressure P-V relation and Grüneisen parameter for elemental strontium
Authors: Vyas, P R
Gohel, V B
Bhatt, N K
Jani, A R
Keywords: Equations of states
Grüneisen parameter
Mean-field potential
Issue Date: Jan-2007
Publisher: CSIR
Series/Report no.: G01L
Abstract: The functional relationship among the thermodynamical variables for a system in equilibrium, equation of state (EOS), provides an insight to the dependence of the microscopic internal structure of the material. In this regard, we have calculated static and dynamic P-V curve for divalent fcc-Sr. Vibrational contribution to the Helmholtz free energy is evaluated within recently proposed mean-field potential (MFP) approximation with the local pseudopotential. Temperature dependence of thermodynamic Grüneisen parameter (ϒth), a quantity that enters the Mie-Grüneisen form of EOS, is also obtained. Results so obtained are in good agreement with the experimental and other theoretical estimates. Use of present coupling scheme (i.e. MFP + pseudopotential) is thus justified; which has an added benefit of computational simplicity.
Description: 93-95
ISSN: 0019-5596
Appears in Collections:IJPAP Vol.45(01) [January 2007]

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