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

The Journal of Physical Chemistry Letters
Xie ZhangChris G Van de Walle

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. 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.

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Citations

Sep 29, 2019·The Journal of Physical Chemistry Letters·Yeongsu Cho, Timothy C Berkelbach
Aug 25, 2020·The Journal of Physical Chemistry Letters·Hardik L KagdadaDheeraj K Singh
Dec 29, 2020·The Journal of Physical Chemistry Letters·Sudip Chakraborty, Mohammad Khaja Nazeeruddin

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