Abstract

The embedded atom method is used to compute the relative energy of the unreconstructed (110) surfaces and the (1×2) missing row reconstruction of the (110) surfaces of Ni, Pd, Pt, Cu, Ag, and Au. The results show increased tendency to reconstruct for the elements at the bottom of these columns of the periodic table. In addition, the detailed geometry of these surfaces is computed and compared with available experimental results. The calculations show an inward relaxation of the top layer atoms, a buckling of the third layer atoms and a lateral pairing of the atoms in the second and fourth atomic layers. Finally, the importance of many-body interactions in determining the relative energy of the missing row and unreconstructed surfaces is discussed.

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