Y. Zhai, S. Baniya, C. Zhang, J. Li, P. Haney, C. Sheng, E. Ehrenfreund, and Z. V. Vardeny, Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies, SCIENCE ADVANCES 3, e1700704‑e1700704 (2017). doi: 10.1126/sciadv.1700704.
Bis(phenylethylammonium) lead iodide: atomic structure Verified

See all entries for this property (27 total)

Origin: computational
Lattice parameters

Crystal system: triclinic

a:6.190605978 Å
b:6.226616049 Å
c:30.25320249 Å
α:90°
β:90°
γ:99.67130224°
Y. Zhai, S. Baniya, C. Zhang, J. Li, P. Haney, C. Sheng, E. Ehrenfreund, and Z. V. Vardeny, Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies, SCIENCE ADVANCES 3, e1700704‑e1700704 (2017). doi: 10.1126/sciadv.1700704.
System description
Dimensionality: D
Sample type: unknown

Code: Quantum Espresso

Level of theory: DFT

K-point grid: 6x6x1

Basis set definition: ultra-soft pseudopotentials

Comment: Energy cutoff was 80 Ry. Force on each atom was less than 0.5 eV/nm.

Extraction method: Retrieved from author
Entry added on: Aug. 3, 2020, 6:41 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: Aug. 3, 2020, 6:41 p.m.
Last updated by: Rebecca Lau Duke University
Data correctness verified by:
  • Rayan C Duke University

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