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Mechanical stability and charge densities near stacking faults.

The electronic structure near (111) twin stacking faults in Cu, Ir, and Al is investigated with the recently developed layer Koringa-Kohn-Rostoker method. The calculated stacking-fault energies are 341 mJ/m{sup 2} (Ir), 118 mJ/m{sup 2} (Al), and 58 mJ/m{sup 2} (Cu), in excellent agreement with experiment. These trends are discussed in terms of changes in local bonding and symmetry at the stacking fault.