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High-pressure P-V relation and Grüneisen parameter for elemental strontium

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Title High-pressure P-V relation and Grüneisen parameter for elemental strontium
 
Creator Vyas, P R
Gohel, V B
Bhatt, N K
Jani, A R
 
Subject Equations of states
Grüneisen parameter
Mean-field potential
Strontium
 
Description 93-95
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.
 
Date 2008-10-22T09:01:14Z
2008-10-22T09:01:14Z
2007-01
 
Type Article
 
Identifier 0019-5596
http://hdl.handle.net/123456789/2287
 
Language en_US
 
Relation G01L
 
Publisher CSIR
 
Source IJPAP Vol.45(1) [January 2007]