Diffusivity of Ga and Al adatoms on GaAs(001)

1996/09/25 by Alexander Kley, Matthias Scheffler, Kley, A. +1
Engineering · Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor Quantum Structures and Devices #Semiconductor materials and devices

paper · pdf · doi:10.48550/arxiv.mtrl-th/9609010

openalex publication_date 1996/09/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

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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