Effects of deformation on the energies of metals

Abstract

In this work, a model for computing the correlation, binding and cohesive energy of deformed and undeformed metals was developed based on the structureless pseudopotential formalism. Based on the developed model, the correlation, binding and cohesive energy of metals were computed and studied. Also, the computed binding and cohesive energy of metals were compared with available experimental values. The results obtained showed that correlation energy increases with increase in electron density parameter, also, increase in deformation increases the correlation energy. The computed binding energy and cohesive energy of metals were in good agreement with experimental values. The results obtained further showed that deformation causes a decrease in the binding energy of metals and it does not cause a significant change in the cohesive energy of metals, although transition metals have high values of cohesive energy compared to alkaline and simple metals.

Keywords: Metals, pseudopotential model,cohesive, binding and correlation energy.