Fig. 3: Projected density of states (pDOS) of the metals’ d-orbitals.

pDOS for (a) pure metals and (b) single-atom alloys evaluated at energy, ϵ, relative to the electronic fermi energy of each metal, ϵfermi. The d-band fillings of each metal, fd, are labeled inset. Unshaded regions above 0.0 eV represent the unoccupied states of the metal.