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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|
|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.|
|ISSN:||0975-1041 (Online); 0019-5596 (Print)|
|Appears in Collections:||IJPAP Vol.49(12) [December 2011]|
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