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CPP 65: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions III (joint session O/CPP/DS/HL)
CPP 65.3: Vortrag
Mittwoch, 18. März 2020, 11:15–11:30, GER 38
Rashba-Dresselhaus Effect in Two Dimensional Layered Halide Perovskites — •Benedikt Maurer1,2, Claudia Draxl1,2, and Christian Vorwerk1,2 — 1Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin — 2European Theoretical Spectroscopy Facility
It has been shown that huge spin-orbit coupling in bulk hybride organic inorganic perovskites in combination with broken inversion symmetry leads to Rashba-Dresselhaus splitting, which influences the optoelectronic properties. This indicates that such effects also affect the optoelectronic properties of their two dimensional layered relatives, which are promising candidates as new light emitting materials. In this work, we aim at understanding which inversion symmetry breaking can lead to the Rashba-Dresselhaus effect in those materials. For this purpose, we develop model structures, where we replace the organic compounds by Cs atoms and disregard possible distortions in the inorganic layers, resulting in the structural composition Csn+1PbnI3n+1. Using the all-electron full-potential density-functional-theory code exciting, we systematically study how atomic distortions impact the band structure for n=1, 2 and ∞. We identify displacement patterns that yield Rashba-Dresselhaus splitting, and determine the size of the splitting as a function of the displacement. Furthermore, we analyze the spin textures in electronic states around the band gap to differentiate between Rashba and Dresselhaus effect. Our study reveals in-plane lead displacements as the origin of the Rashba-Dresselhaus splitting.