Diffusion processes of trimers on missing row surfaces: \mathrm{Cu }_{3}/\mathrm{Ag }(110) and \mathrm{Ag }_{3}/\mathrm{Cu }(110)

摘要: A semi-empirical potential according to the embedded atom, has been applied investigate diffusion of trimers by computing energy barriers for different mechanisms. Our attention was more focused on leapfrog process which is likely occur missing row surfaces. The activation this mechanism are calculated using drag method at 0K. These found be 0.64 and 0.68 eV hopping out channel \(\mathrm{Cu }_{3}/\mathrm{Ag }(110) \mathrm{and Ag }_{3}/\mathrm{Cu }\)(110) respectively. While down other side they about 0.42 0.32 eV. Moreover, a deep metastable position observed during leading some spectacular trimer motion. At high temperature essentially }\)(110), we also competition between concerted jump with deformation geometry. Implications these findings briefly discussed.