(1982) Bauer, Rolf; Maysenhölder, Waldemar; Seeger, Alfred
Long-term trends in the calculation of defect properties in the noble metals are criticezed. On physical grounds it is argued that the model potentials used should allow for many-body interactions. Results based on potentials which include three-body interaction terms are presented for Cu, Ag, and Au.
(1985) Maysenhölder, Waldemar; Bauer, Rolf; Seeger, Alfred
The vacancy formation entropy in Cu, Ag and Au is estimated from model calculations with explicit treatment of three-body interactions. The three-body interactions cause a rather strong relaxation around the vacancies and therefore lead to lower values for the formation entropy than usual pair-potential calculations.
