Elastically induced coexistence of surface reconstructions

Scanning tunneling microscopy of Sb-capped GaAs shows the coexistence of different surface reconstructions. The majority of the surface consists of an α2 (2×4) reconstruction typically observed for GaAs(001) surfaces. At step edges, an α (4×3) reconstruction, common for GaSb(001), is observed. We argue that strain couples the surface reconstruction to the film morphology. Density functional theory calculations show that the (2×4) reconstruction is stabilized in GaSb films when the lattice parameter is constrained to that of GaAs, as happens in the middle of a terrace, while the (4×3) reconstruction is stabilized when the lattice parameter is allowed to relax toward that of GaSb at step edges. This result confirms the importance of elastic relaxation in the coexistence of surface reconstructions. © 2008 The American Physical Society.