A theoretical study was made of the relative formation energies for alternative models of the v19 x v19 reconstruction, found under Ga-rich growth conditions at the GaAs(¯1¯1¯1) surface. It was found that the energetically most favourable model had 4-fold coordinated Ga atoms, on the surface, which exhibited metallic bonding. This structure differed, with regard to the electron counting rule, from accepted models for the (100), (110) and (111) surfaces of GaAs. The results suggested that it was still possible to explain the stability of the metallic (¯1¯1¯1) surface, using a rule similar to the electron counting rule.

M.Haugk, J.Elsner, M.Sternberg, T.Frauenheim: Journal of Physics - Condensed Matter, 1998, 10[21], 4523-32