Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3

Zheng, Fan; Tan, Liang Z.; Liu, Shi; Rappe, Andrew M.

doi:10.1021/acs.nanolett.5b01854

Title: Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH₃NH₃PbI₃

Journal Article · Fri Nov 06 00:00:00 EST 2015 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.5b01854· OSTI ID:1867848

Zheng, Fan ^[1]; Tan, Liang Z. ^[1]; Liu, Shi ^[2]; Rappe, Andrew M. ^[1]

Univ. of Pennsylvania, Philadelphia, PA (United States)
Carnegie Inst. of Science, Washington, DC (United States). Geophysical Lab.

Organometal halide perovskites are promising solar-cell materials for next-generation photovoltaic applications. The long carrier lifetime and diffusion length of these materials make them very attractive for use in light absorbers and carrier transporters. While these aspects of organometal halide perovskites have attracted the most attention, the consequences of the Rashba effect, driven by strong spin-orbit coupling, on the photovoltaic properties of these materials are largely unexplored. In this work, taking the electronic structure of CH₃NH₃PbI₃ (methylammonium lead iodide) as an example, we propose an intrinsic mechanism for enhanced carrier lifetime in three-dimensional (3D) Rashba materials. On the basis of first-principles calculations and a Rashba spin-orbit model, we demonstrate that the recombination rate is reduced due to the spin-forbidden transition. These results are important for understanding the fundamental physics of organometal halide perovskites and for optimizing and designing the materials with better performance. The proposed mechanism including spin degrees of freedom offers a new paradigm of using 3D Rashba materials for photovoltaic applications.

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Research Organization:: Univ. of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); US Department of the Navy, Office of Naval Research (ONR); National Science Foundation (NSF); Carnegie Institution of Science

Grant/Contract Number:: FG02-07ER46431; N00014-14-1-0761; CBET-1159736

OSTI ID:: 1867848

Journal Information:: Nano Letters, Vol. 15, Issue 12; Related Information: NOTICE: The article has a correction to figure 1. See: https://pubs.acs.org/doi/10.1021/acs.nanolett.6b04300; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH₃NH₃PbI₃