S-1-methyl benzylamine lead iodide: band structure
Band structure Verified
2D chiral perovskite
Origin: computational
Band structure
Crystal system: orthorhombic
System description
Dimensionality: 2D
Sample type: single crystal
Sample type: single crystal
Related data
This data set is directly linked to other data sets:
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Code: FHI-aims
Level of theory: DFT
Exchange-correlation functional: HSE06
K-point grid: 3×4×4
Level of relativity: atomic ZORA with SOC
Basis set definition: NAO
Geometry used in the calculation
External repositories:
M.
K.
Jana,
R.
Song,
H.
Liu,
D.
R.
Khanal,
S.
M.
Janke,
R.
Zhao,
C.
Liu,
Z.
V.
Vardeny,
V.
Blum,
and
D.
B.
Mitzi,
Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling.,
Nature Communications
11,
4699-1‑4699-10
(2020).
doi: 10.1038/s41467-020-18485-7.
Extraction method: from author
Entry added on: Aug. 12, 2020, 2:53 p.m.
Entry added by: Ruyi Song Chemistry department, Duke university
Last updated on: Aug. 12, 2020, 2:53 p.m.
Last updated by: Ruyi Song Chemistry department, Duke university
Data correctness verified by:
Entry added on: Aug. 12, 2020, 2:53 p.m.
Entry added by: Ruyi Song Chemistry department, Duke university
Last updated on: Aug. 12, 2020, 2:53 p.m.
Last updated by: Ruyi Song Chemistry department, Duke university
Data correctness verified by:
- Rayan C Duke University
Download data
DOI for this data set: 10.6084/m9.figshare.12797519
Data set ID: 1636 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!