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Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

AuthorsSilkin, Igor V.; Koroteev, Yuri M.; Silkin, Viatcheslav M.; Chulkov, Eugene V.
Issue Date2020
PublisherAmerican Physical Society
CitationPhysical Review B 101(23): 235409 (2020)
AbstractThe effect of spin-orbit coupling on quantum well states (QWSs) in atomically thin Ir adlayers deposited on the Au(111) substrate is studied in the framework of the density functional theory. Varying the Ir film thickness from 1 to 3 atomic layers, we find numerous Ir-derived QWSs, which are mainly of d character. The resulting band dispersion of QWSs appearing around the surface Brillouin zone center in a wide Au(111) energy gap is analyzed in the framework of the Rashba model. In all such QWSs, the fitted values of the Rashba parameter exceed 2eVÅ. The maximal value of 6.4eVÅ was obtained for the 1-monolayer-Ir/Au(111) system. We explain such large spin splitting by hybridization between different QWSs. Strong enhancement is observed in the density of electronic states at the surface in the energy region around the Fermi level caused by these QWSs.
Publisher version (URL)https://doi.org/10.1103/PhysRevB.101.235409
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