Slope–temperature faceting diagram for macrosteps at equilibrium

AbstractFaceting diagrams between surface slope and temperature are calculated numerically based on statistical mechanics for inclined surfaces between (001) and (111) surfaces at equilibrium. A lattice model is employed that includes point-contact-type step–step attractions from the quantum mechanical couplings between neighbouring steps. Comparing the obtained faceting diagrams with the phase diagram for step bunching proposed by Song and Mochrie for Si(113), the effective step–step attraction energy for Si(113) is approximately estimated to be 123 meV. The slope dependences of the mean height of the faceted macrosteps with a (111) side surface and that with a (001) side surface are calculated using the Monte Carlo method. The faceting diagrams can be used as a guide for controlling the assembling/disassembling of faceted macrosteps for designing new surface arrangements.