Density-functional calculations are used to identify one-atom-thick metallic In overlayers on the Si(111) surface, which have long been sought in quest of the ultimate two-dimensional (2D) limit of free-electron-like metallic properties. We predict two metastable single-layer In phases, one 7×3 phase with a coverage of 1.4 monolayer (ML; here 1 ML refers to one In atom per top Si atom) and the other 7×7 phase with 1.43 ML, which indeed match well with experimental evidences. Both phases reveal quasi-1D arrangements of protruded In atoms, leading to 2D-metallic but anisotropic band structures and Fermi surfaces. This directional feature contrasts with the free-electron-like In-overlayer properties that are known to persist up to the double-layer thickness, implying that we may have achieved the 2D limit of free-electron-like In overlayers in previous studies of double-layer In phases.
@article{arxiv.1605.08532,
title = {Metallic Indium Monolayers on Si(111)},
author = {Jae Whan Park and Myung Ho Kang},
journal= {arXiv preprint arXiv:1605.08532},
year = {2016}
}