First-principles calculation of interactions between vacancies in transition-metal aluminides
Citation:
Koch JM, Stefanou N, Koenig C. First-principles calculation of interactions between vacancies in transition-metal aluminides. Vacancies and Interstitials in Metals and Alloys. 1987;15-18:1329-1333.
An expression for the interaction energy between two defects in a metallic compound within the framework of the frozen potential approximation is presented. The numerical application to vacancies in Al or TAl (T=Fe, Ni) shows that the electrostatic contribution of the screening charge around each defect can predominate over the one-particle term.
Contact Details
Department of Physics National and Kapodistrian University of Athens University Campus GR-157 84 Zografou, Athens
