Journal
NANO LETTERS
Volume 18, Issue 9, Pages 5603-5609Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.8b02078
Keywords
Halide perovskites; layered materials; lattice mismatch; surface states; exciton; density functional theory
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Funding
- Agence Nationale pour la Recherche (TRANSHYPERO project)
- LANL LDRD program
- U.S. Department of Energy, Office of Science [SC0012541]
- ONR [N00014-17-1-2231]
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Surface states are ubiquitous to semiconductors and significantly impact the physical properties and, consequently, the performance of optoelectronic devices. Moreover, surface effects are strongly amplified in lower dimensional systems such as quantum wells and nanostructures. Layered halide perovskites (LHPs) are two-dimensional solution-processed natural quantum wells where optoelectronic properties can be tuned by varying the perovskite layer thickness n, i.e., the number of octahedra spanning the layer. They are efficient semiconductors with technologically relevant stability. Here, a generic elastic model and electronic structure modeling are applied to LHPs heterostructures with various layer thickness. We show that the relaxation of the interface strain is triggered by perovskite layers above a critical thickness. This leads to the release of the mechanical energy arising from the lattice mismatch, which nucleates the surface reorganization and may potentially induce the formation of previously observed lower energy edge states. These states, which are absent in three-dimensional perovskites are anticipated to play a crucial role in the design of LHPs for optoelectronic systems.
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