Ab Initio Study of GaSb(001)-c(2*10) and (2*10) Reconstructions

Abstract

GaSb(001) surface reconstructions with the experimentally observed (2 × 10) and c(2 × 10) symmetry are investigated employing density functional theory. Total energy calculations are carried out for a significant number of reconstructions, including the previously suggested metallic structures and new models which fulfill the electron counting rule. Special attention is given to the incorporation of Ga atoms during the initial steps of growth. It is shown, that none of these reconstructions is thermodynamically stable. This suggests that (2 × 10) and c(2 × 10) structures are kinetically stabilized under experimental conditions.

Analysis of GaSb and AlSb reconstructions on GaSb(111)A- andB-oriented surfaces by azimuthal-scan reflection high-energy electron diffraction

“…The majority of these efforts focused on the analysis of surface structures on (001) substrates, [12][13][14][15][16][17] the reconstruction phase diagrams, 18,19 and the understanding of their growth kinetics. 20 The group III-Sb(111) surfaces have not attracted that much attention so far, although the group III-Sb based semiconductors are suitable materials for device applications in near-and mid-infrared optical devices and in high-speed electronics.…”