As we have mention previously, the Budapest-Vienna code does not allow us to include structural relaxation in the self-consistent procedure. For this reason, throughout this chapter when we address the case of semi-infinite fcc cobalt with a capping of an atomic monolayer of Ag, we will suppose that the lattice of the system has experimented "rigid relaxation", and we assume different values of .
In Fig. 6.4 we present the WF of a semi-infinite cobalt fcc system capped with a monolayer of Ag, for two different interfaces: (100) and (111) as a function of the rigid relaxation of the Ag lattice.
As we can see, the work function changes with the crystal face as it has been reported previously in metals in Ref. , and also it is affected by the relaxation of the lattice. Nevertheless the variation of the value of the WF is lower than a of the un-relaxed one.
Calculated Work Function, in eV, as a function of the relaxation of the volume of the silver atom in the systems: