The Vacancy Energy in Metals: Cu, Ag, Ni, Pt, Au, Pd, Ir and Rh
T. H. Akande, F. Matthew-Ojelabi, G. S. Agunbiade, E. B. Faweya & A. O. Adeboje · Physical Science International Journal · 2019
The predictive calculations of vacancy formation energies in metals: Cu, Ag, Ni, Pt, Au, Pd, Ir and Rh are presented. The energy is given as a function of electron density. Density functional theory underestimates the vacancy formation energy when structural relaxation is include...
Open access
Research Article
10.9734/psij/2019/v22i330132