Possibility of faceting transformation of Mo and W from (111) to {110} induced by ultrathin film Rh

Using first principles total energy calculations, the surface energies of M o and W before and after adsorbing Rh thin films in [111] and [110] orienta tions are calculated. The calculation results indicate that clean (111) sur faces of both Mo and W cannot transform to {110} facets, in agreement with experimental observations. When the coverage of Rh arrives at one physical monolayer, Rh/Mo(111) still cannot facet to {110},while under a favorable e nergy condition for the transformation, Rh/W(111) may facet to {110}.