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Title: Pressure dependence of bulk modulus for solids based on the first-principles results
Authors: Singh, P K
Keywords: Equation of state
Pressure derivatives of bulk modulus
Metals and non-metals
Diatomic solids
Issue Date: Dec-2011
Publisher: NISCAIR-CSIR, India
Abstract: K-primed equations of state for solids are more advantageous than the conventional pressure-volume relationships for studying higher derivatives of bulk modulus and thermoelastic properties. The reciprocal K-primed quadratic equation is consistent with the first-principles results determined from the augmented plane wave method for metals, non-metals and diatomic solids, has been studied in the present paper. The values of pressure, bulk modulus and its pressure derivative based on the first-principles in case of different solids are found to satisfy the reciprocal K-primed quadratic equation.
Description: 829-832
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.49(12) [December 2011]

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