Diffusivity of Ga and Al adatoms on GaAs(001)

Details Diffusivity of Ga and Al adatoms on GaAs(001) Diffusivity of Ga and Al adatoms on GaAs(001)

1996-09-25

arxiv.org/abs/mtrl-th/9609010v1

Physics

Condensed Matter

Materials Science

4 pages, 1 figures, to appear in "The Physics of Semiconductors"

Scientific paper

The diffusivity of Ga and Al adatoms on the (2x4) reconstructed GaAs(001) surface are evaluated using detailed ab initio total energy calculations of the potential energy surface together with transition state theory. A strong diffusion anisotropy is found, with the direction of fastest diffusion being parallel to the surface As-dimer orientation. In contrast to previous calculations we identify a short--bridge position between the two As atoms of a surface dimer as the adsorption site for Al and Ga adatoms.

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