DFT calculations find stronger effective valence-band spin splitting in (R/S-NEA)PbI3 than in (R/S-PEA)PbI3 due to larger SOC gaps and band crossings, with opposite spin textures for the two compounds matching their opposite octahedral distortions.
Giannozziet al., Advanced capabilities for materi- als modelling with Quantum ESPRESSO, Journal of Physics: Condensed Matter29, 465901 (2017)
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First-principles calculations of spin-split bands in chiral hybrid organic-inorganic perovskites ($R$/$S$-PEA)PbI$_3$ and ($R$/$S$-NEA)PbI$_3$
DFT calculations find stronger effective valence-band spin splitting in (R/S-NEA)PbI3 than in (R/S-PEA)PbI3 due to larger SOC gaps and band crossings, with opposite spin textures for the two compounds matching their opposite octahedral distortions.