JYH PIN CHOUWei, C.M.C.M.WeiWang, Y.L.Y.L.WangGruznev, D.V.D.V.GruznevBondarenko, L.V.L.V.BondarenkoMatetskiy, A.V.A.V.MatetskiyTupchaya, A.Y.A.Y.TupchayaZotov, A.V.A.V.ZotovSaranin, A.A.A.A.Saranin2024-09-182024-09-182014https://www.scopus.com/record/display.uri?eid=2-s2.0-84899726287&origin=resultslisthttps://scholars.lib.ntu.edu.tw/handle/123456789/721309The Si(111)2×2-In reconstruction can be considered as a precursor phase for the formation of the metallic 7×3 phases of In overlayers on a Si(111) surface. Using the ab initio random structure searching method, comparison of simulated and experimental scanning tunneling microscopy images, and resemblance of the calculated band structure to the experimental angle-resolved photoelectron spectra, we examined various 2×2 structure models with 0.5, 0.75, 1.0, and 1.25 monolayer In coverage. The only model which fits well all the requirements is the one-monolayer model, where three In atoms in the T4 sites form a trimer centered in the H3 site and the fourth In atom occupies the on-top (T1) site. © 2014 American Physical Society.journal article10.1103/PhysRevB.89.1553102-s2.0-84899726287