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Title: High-pressure study of Na: A mean-field potential approach
Authors: Bhatt, N K
Vyas, P R
Gohel, V B
Jani, A R
Keywords: Helmholtz free energy;Grüneisen parameter;Bulk modulus;High-pressure
Issue Date: Jun-2008
Publisher: CSIR
Abstract: Study of anharmonicity through Grüneisen parameter is carried out for elemental Na at finite temperatures and pressures. The mean-field potential (MFP) approach has been employed in conjunction with the local pseudopotential to evaluate Helmholtz free energy at elevated temperatures and pressures. The calculated pressure and temperature variation of thermodynamic Grüneisen parameter (ϒth), pressure dependence of isothermal bulk modulus (BT) and total free energy at T = 300-K have been calculated. Results obtained are satisfactorily compared with the experimental and other first principles data.
Page(s): 443-44
ISSN: 0019-5596
Appears in Collections:IJPAP Vol.46(06) [June 2008]

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