Electronic structure of the indium-adsorbed Au/Si(111)-√3 x √3 surface: A first-principles study

Electronic structures of the indium-adsorbed Au/Si(111)-root 3 x root 3 surface were examined using first-principles calculations at In coverages of 0, 1/6, 1/3, 2/3, and 1 ML. The band structures of the numerous models were analyzed in detail. We found that the surface bands around the M point exhibit notable Rashba-type spin-orbit splittings. In addition, our results show that the calculated bands of the lowest-energy model at 1/3 ML are in fair agreement with the identified bands in the angle-resolved photoemission study [J. K. Kim et al., Phys. Rev. B 80, 075312 (2009)].