Strain Relief and Pd Island Shape Evolution on the Palladium and Palladium Hydride (100) Surface~1

摘要

The mesoscopic relaxation of small Pd islands on Pd(100) and PdH(100) surfaces is investigated on the atomic scale by performing molecular statics calculations. A strong strain and stress inhomogeneity in islands and topmost layers of the substrate is revealed. An unusual size dependence of the shape of islands is discovered.