Table 2 Computed Rashba parameters

From: Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals

 

CB (cubic)

VB (cubic)

CB (tetragonal)

VB (tetragonal)

\(\left\langle {100} \right\rangle\) (ΓX)

0.16 ± 0.11

0.13 ± 0.11

0.45 ± 0.21

0.40 ± 0.23

[110] (ΓM)

0.17 ± 0.14

0.18 ± 0.11

0.47 ± 0.21

0.40 ± 0.17

[111] (ΓR/ΓA)

0.16 ± 0.12

0.15 ± 0.13

0.45 ± 0.23

0.39 ± 0.21

[001] (ΓZ)

−

−

0.23 ± 0.19

0.17 ± 0.18

  1. Rashba parameters (α) in units of eV Å computed along different high-symmetry directions for both cubic and tetragonal MA-relaxed structures. The mean α values for 10 cubic and 10 tetragonal structures with random MA orientation are given, together with the associated standard deviations. The Rashba coefficient in the \(\left\langle {100} \right\rangle\) direction is an average of the coefficients computed along the [100], [010] and [001] directions. The directions refer to a 4-formula-unit simulation cell with the band edges at the Γ point of the Brillouin zone. CB is the conduction band, and VB the valence band
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