Abstract
The 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 $2\phantom{\rule{0.28em}{0ex}}\mathrm{eV}\phantom{\rule{0.16em}{0ex}}\AA{}$. The maximal value of $6.4\phantom{\rule{0.28em}{0ex}}\mathrm{eV}\phantom{\rule{0.16em}{0ex}}\AA{}$ 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.
Highlights
In crystals without inversion symmetry a twofold Kramer’s degeneracy of the electron energy bands protected by timereversal symmetry is lifted
The 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
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
Summary
In crystals without inversion symmetry a twofold Kramer’s degeneracy of the electron energy bands protected by timereversal symmetry is lifted. As a result, these bands are split into two sets by the spin-orbit coupling (SOC) and each of these bands is characterized by the momentum and spin [1,2]. One of the directions in the running investigations is the search for materials characterized by a large strength of SOC, which can be quantified by the Rashba parameter αR This parameter determines the linear term in the resulting energy band dispersions from the Rashba point, where the two bands intersect.
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