Abstract
Using first principles total energy calculations, the lattice relaxation, surface energy and work function of low index surfaces of Cu are calculated. While the (111) and (100) surfaces show only small relaxation effects, the (110) surface exhibits pronounced multilayer relaxation which is typical for all fcc (110) surfaces. The results are in good agreement with experimental LEED and ion scattering studies.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have