Bulk modulus of metals according to structureless pseudopotential model

  • OM Osiele
  • OG Edema

Abstract

The method for calculating the bulk modulus of metals based on the
structureless pseudopotential model was fully developed. The developed method was used to calculate the bulk modulus and kinetic energy contribution to the bulk modulus of 46 elemental metals. The results obtained were compared with experimental values and their variation with electron density parameter was studied. The results obtained revealed that the calculated and experimental bulk modulus of metals varies in the
same manner with the electron density parameter. The calculated bulk modulus of metals was in very good agreement with experimental values for the simple metals in the low-density limit and the agreement between the calculated and experimental bulk modulus of metals decreases towards the high-density limit where we have the transition and the noble metals. The results further revealed that the kinetic energy contributes significantly to the bulk modulus of metals and varies in the same manner
with the electron density parameter as the bulk modulus. The agreement between the calculated and experimental bulk modulus of metals shows that the structuresless pseudopotential model is promising for predicting metallic properties.
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eISSN: 1116-4336