  We study the strain relaxation mechanisms of Cu on Pd(111) up to the
monolayer regime using two different computational methodologies, basin-hopping
global optimization and energy minimization with a repulsive bias potential.
Our numerical results are consistent with experimentally observed
layer-by-layer growth mode. However, we find that the structure of the Cu layer
is not fully pseudomorphic even at low coverages. Instead, the Cu adsorbates
forms fcc and hcp stacking domains, separated by partial misfit dislocations.
We also estimate the minimum energy path and energy barriers for transitions
from the ideal epitaxial state to the fcc-hcp domain pattern.
