Calculations of point-defect properties in copper, silver, and gold based on three-body interactions

Bauer, RolfMaysenhölder, WaldemarSeeger, Alfred2009-08-312016-03-312009-08-312016-03-311982316305464http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-45608http://elib.uni-stuttgart.de/handle/11682/6716http://dx.doi.org/10.18419/opus-6699Long-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.eninfo:eu-repo/semantics/openAccessKupfer , Gold , Silber , Störstelle , Dreikörperproblem530Calculations of point-defect properties in copper, silver, and gold based on three-body interactionsarticle2014-09-11