Lattice-statics approach to surface calculations in a monatomic lattice

The method of lattice statics has been used to obtain a general formalism for determining atomic relaxations near surfaces of any given orientation in monatomic fcc or bcc lattices. Numerical results have been obtained for (100), (110), and (111) surfaces for semi-infinite slabs of α-iron and for the (100) surface of a "modified" Cu lattice. For these high-symmetry directions the three-dimensional equilibrium equations reduce to one dimension and the atomic relaxations are entirely normal to the surface.