Cross-sectional imaging of sharp Si interlayers embedded in gallium arsenide

Abstract: We investigate the electronic properties of the (110) cross-sectional surface of Si-doped GaAs using first-principles techniques. We focus on doping configurations with an equal concentration of Si impurities in cationic and anionic sites, such as occurring in a self-compensating doping regime. In particular we study a bilayer of Si atoms uniformly distributed over two consecutive (001) atomic layers. The simulated cross-sectional scanning tunneling microscopy images show a bright signal at negative bias, which is strongly attenuated when the bias is reversed. This scenario is consistent with experimental results which had been attributed to hitherto unidentified Si complexes.