The present study was focused on the behavior of the neighboring atoms around point defects. The conjugate gradient method, with an empirical many-body potential, was used to study the point-defect/surface interaction. Point defects were generated at various depths under an (001) surface, and the whole system was then driven to the minimum energy state. The displacement field in the vicinity to the defect was obtained.

Deformation Behaviour Induced by Point Defects near a Cu(001) Surface. M.Said-Ettaoussi, J.C.Jimenez-Saez, A.M.C.Perez-Martin, J.J.Jimenez-Rodriguez: Applied Surface Science, 2004, 238[1-4], 249-53