Pj. Rous et al., THEORY OF SURFACE ELECTROMIGRATION ON METALS - APPLICATION TO SELF-ELECTROMIGRATION ON CU(111), Surface science, 315(1-2), 1994, pp. 120000995-120001002
We present a calculation of the force, due to electron scattering, act
ing upon an adatom at the surface of a current-carrying metal, i.e., t
he so-called ''wind'' force in surface electromigration. The force is
calculated from the Feynman-Hellmann theorem in which the electron sca
ttering states are computed with full multiple scattering corrections
by a layer-KKR method. In contrast to previous jellium models, this ap
proach allows the proper treatment of electron scattering by both the
surface barrier and the substrate and its effect upon the current-carr
ying states at the surface. The electron scattering force is computed
for the self-electromigration of Cu adatoms on Cu(111). At room temper
ature, the effective valence of the adatom is found to be almost-equal
-to -21. We conclude that surface electromigration of Cu on Cu(111) is
dominated by the electron scattering force and that any direct force
originating from charge transfer to the adatom is likely to be unimpor
tant in this case. The implications of the computed value of the wind
force for the mass transport at a current-carrying metal surface are d
iscussed.