Electronic structure of the (111) and (111) surfaces of GaAs

Inward relaxation effects of the outermost Ga layer on the electronic structure of GaAs (111) Ga and outward expansion effects of the outermost As layer on that of GaAs ($\text{111}$) As are studied by extended Hückel theory. Three different surface geometries are examined for the respective surfaces. It is shown that upon relaxation on GaAs (111) or upon expansion on GaAs ($\text{111}$) new surface states associated with dangling- and back-bonds are revealed. The character and dispersion behaviour of strongly localized surface states are described.