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Title: Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions

Hybrid perovskites such as MAPbI 3 (MA = CH 3NH 3) exhibit a unique spin texture. The spin texture (as calculated within the Rashba model) has been suggested to be responsible for a suppression of radiative recombination due to a mismatch of spins at the band edges. Here we compute the spin texture from first principles and demonstrate that it does not suppress recombination. The exact spin texture is dominated by the inversion asymmetry of the local electrostatic potential, which is determined by the structural distortion induced by the MA molecule. In addition, the rotation of the MA molecule at room temperature leads to a dynamic spin texture in MAPbI 3. Furthermore these insights call for a reconsideration of the scenario that radiative recombination is suppressed and provide an in-depth understanding of the origin of the spin texture in hybrid perovskites, which is crucial for designing spintronic devices.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Univ. of California, Santa Barbara, CA (United States)
Publication Date:
Grant/Contract Number:
SC0010689
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 9; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Research Org:
Univ. of California, Santa Barbara, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; spin texture; optical transitions; hybrid perovskites; solar cell
OSTI Identifier:
1437924

Zhang, Xie, Shen, Jimmy -Xuan, and Van de Walle, Chris G. Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions. United States: N. p., Web. doi:10.1021/acs.jpclett.8b01004.
Zhang, Xie, Shen, Jimmy -Xuan, & Van de Walle, Chris G. Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions. United States. doi:10.1021/acs.jpclett.8b01004.
Zhang, Xie, Shen, Jimmy -Xuan, and Van de Walle, Chris G. 2018. "Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions". United States. doi:10.1021/acs.jpclett.8b01004.
@article{osti_1437924,
title = {Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions},
author = {Zhang, Xie and Shen, Jimmy -Xuan and Van de Walle, Chris G.},
abstractNote = {Hybrid perovskites such as MAPbI3 (MA = CH3NH3) exhibit a unique spin texture. The spin texture (as calculated within the Rashba model) has been suggested to be responsible for a suppression of radiative recombination due to a mismatch of spins at the band edges. Here we compute the spin texture from first principles and demonstrate that it does not suppress recombination. The exact spin texture is dominated by the inversion asymmetry of the local electrostatic potential, which is determined by the structural distortion induced by the MA molecule. In addition, the rotation of the MA molecule at room temperature leads to a dynamic spin texture in MAPbI3. Furthermore these insights call for a reconsideration of the scenario that radiative recombination is suppressed and provide an in-depth understanding of the origin of the spin texture in hybrid perovskites, which is crucial for designing spintronic devices.},
doi = {10.1021/acs.jpclett.8b01004},
journal = {Journal of Physical Chemistry Letters},
number = ,
volume = 9,
place = {United States},
year = {2018},
month = {5}
}