Free energies of steps on (111) fcc surfaces

Abstract

For a hexagonal two-dimensional lattice we derive, using a surprisingly simple route, exact expressions for the step free energies along the high symmetry directions, 〈1–10〉 and 〈11–2〉. If we consider only nearest-neighbor interactions, ε, and ignore step overhangs the step free energy vanishes at a temperature T R = ( ε / ( k b ln 3 ) ) ( ≈ 0.91 ε / k b ) . In a more sophisticated model that incorporates step overhangs we find a reduction of T R to about 0.87 ε/ k b. The obtained step free energy expressions are also valid for the free energy of walls between two regions of opposite spins of the triangular 2D Ising system.