Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions
Abstract
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.
- Authors:
-
- Univ. of California, Santa Barbara, CA (United States)
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1437924
- Grant/Contract Number:
- SC0010689
- Resource 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
- 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
Citation Formats
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., 2018.
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. https://doi.org/10.1021/acs.jpclett.8b01004
Zhang, Xie, Shen, Jimmy -Xuan, and Van de Walle, Chris G. Tue .
"Three-Dimensional Spin Texture in Hybrid Perovskites and Its Impact on Optical Transitions". United States. https://doi.org/10.1021/acs.jpclett.8b01004. https://www.osti.gov/servlets/purl/1437924.
@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 = {Tue May 15 00:00:00 EDT 2018},
month = {Tue May 15 00:00:00 EDT 2018}
}
Web of Science
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Works referencing / citing this record:
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