Hanakata, Paul Z.Rodin, A.S.Carvalho, AlexandraPark, Harold S.Campbell, David K.Castro Neto, A.H.2020-04-272020-04-272017-10-03Paul Z Hanakata, A.S. Rodin, Alexandra Carvalho, Harold S Park, David K Campbell, A.H. Castro Neto. 2017. "Two-dimensional square buckled Rashba lead chalcogenides." PHYSICAL REVIEW B, Volume 96, Issue 16, pp. ? - ? (6). https://doi.org/10.1103/PhysRevB.96.1614012469-99502469-9969https://hdl.handle.net/2144/40379We propose the lead sulphide (PbS) monolayer as a two-dimensional semiconductor with a large Rashba-like spin-orbit effect controlled by the out-of-plane buckling. The buckled PbS conduction band is found to possess Rashba-like dispersion and spin texture at the M and Γ points, with large effective Rashba parameters of λ∼5 eV Å and λ∼1 eV Å, respectively. Using a tight-binding formalism, we show that the Rashba effect originates from the very large spin-orbit interaction and the hopping term that mixes the in-plane and out-of-plane p orbitals of Pb and S atoms. The latter, which depends on the buckling angle, can be controlled by applying strain to vary the spin texture as well as the Rashba parameter at Γ and M. Our density functional theory results together with tight-binding formalism provide a unifying framework for designing Rashba monolayers and for manipulating their spin properties.6 pagesen-US"©2017 American Physical Society. The final published version of this article appears in OpenBU by permission of the publisher."Science & technologyPhysical sciencesPhysics, appliedPhysics, condensed matterMaterials sciencePhysicsTopological insulatorsSpinFieldPolarizationTransistorsStrainsMOS2Spin-orbit coupling2-dimensional systemsChalcogenidesFirst-principles calculationsTight-binding modelArticle10.1103/PhysRevB.96.1614010000-0001-5365-7776 (Park, Harold S)0000-0002-4502-5629 (Campbell, David K)286433