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

Journal Article · 15 May 2018 · Journal of Physical Chemistry Letters

DOI: https://doi.org/10.1021/acs.jpclett.8b01004 · OSTI ID:1437924

Zhang, Xie  ^[1]; Shen, Jimmy -Xuan  ^[1]; Van de Walle, Chris G.  ^[1]

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1. Univ. of California, Santa Barbara, CA (United States)

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.

• Research Organization: Univ. of California, Santa Barbara, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: SC0010689
• OSTI ID: 1437924
• Journal Information: Journal of Physical Chemistry Letters, Vol. 9; ISSN 1948-7185
• Publisher: American Chemical SocietyCopyright Statement
• Country of Publication: United States
• Language: English