Many electron correlation effects on the energies and configuration of lattice defects in simple metals: Stacking faults

Abstract

In the case of Al, the inclusion of electron correlations affects the fault energies by 10-15%, and pushes the magnitude in the right direction, although the energy corresponding to the new dielectric function is still less than the lower limit of the new experimental data. In the case of Na, metastable states have not been found for faults on the expected (110) and (112) planes. A comparative study is presented of nonlocal and local model pseudopotentials by taking two local potentials: (1) modified point ion and (2) empty core, screened with the new dielectric function.