title: Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors.
abstract: Layered halide hybrid organic-inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. In this review, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D4hsymmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin-orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.
authors: Fonctions Optiques pour les TélécommunicatiONs (FOTON), INSA de Rennes, CNRS, UMR 6082, 35708 Rennes, France.
authors: Laurent
authors: L
authors: Pedesseau
authors: Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 , CNRS, UMR 6226, 35042 Rennes, France.
authors: Daniel
authors: D
authors: Sapori
authors: Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 , CNRS, UMR 6226, 35042 Rennes, France.
authors: Boubacar
authors: B
authors: Traore
authors: Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology , Campus UAB, Bellaterra, 08193 Barcelona, Spain.
authors: Roberto
authors: R
authors: Robles
authors: Zernike Institute for Advanced Materials, University of Groningen , Nijenborgh 4, Groningen 9747 AG, The Netherlands.
authors: Hong-Hua
authors: HH
authors: Fang
authors: Zernike Institute for Advanced Materials, University of Groningen , Nijenborgh 4, Groningen 9747 AG, The Netherlands.
authors: Maria Antonietta
authors: MA
authors: Loi
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Hsinhan
authors: H
authors: Tsai
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Wanyi
authors: W
authors: Nie
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Jean-Christophe
authors: JC
authors: Blancon
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Amanda
authors: A
authors: Neukirch
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Sergei
authors: S
authors: Tretiak
authors: Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.
authors: Aditya D
authors: AD
authors: Mohite
authors: Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 , CNRS, UMR 6226, 35042 Rennes, France.
authors: Claudine
authors: C
authors: Katan
authors: Fonctions Optiques pour les TélécommunicatiONs (FOTON), INSA de Rennes, CNRS, UMR 6082, 35708 Rennes, France.
authors: Jacky
authors: J
authors: Even
authors: Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 , CNRS, UMR 6226, 35042 Rennes, France.
authors: Mikaël
authors: M
authors: Kepenekian
keywords: Bethe−Salpeter equation; Rashba; density functional theory; dielectric confinement; exciton; halide perovskites; k·p; layered materials; quantum confinement