Renormalization of the valence and conduction bands of (C₆H₅C₂H₄NH₃)₂PbI₄ hybrid perovskite

Abstract

Quasi two-dimensional hybrid organic-inorganic perovskites (HOIPs) have been rediscovered recently for photovoltaics due to a higher stability than other HOIPs. We focus here on the electronic structure of the 2D perovskite (C6H5C2H4NH3)2PbI4. We perform an experimental k-resolved determination of the valence and conduction bands by angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES). The experimental and theoretical dispersions are compared. The valence band width is in agreement with that of renormalized theoretical bands, while no significative renormalization is observed for the conduction band. The effect of the spin-orbit coupling in the conduction band is also experimentally observed.

Theoretical spectral function of CH3NH3PbI3 hybrid perovskite around the Fermi level

“…Molecular states do not contribute significantly at the top of the valence band (0 eV ~-4 eV) 34 and they are almost dispersionless. Since the more dispersing features arise from the inorganic part 35 , calculations can be performed just with the inorganic part PbI 3 and an appropriate charge transfer, without taking account the details of methylammonium (CH 3 NH 3 PbI 3 ). The molecular potential is reproduced by using empty spheres, as shown in Fig.…”

“…1(a). The use of these empty spheres is a standard procedure to fill interstitial positions with additional scattering centers 35 . In our case twenty four empty spheres were included in the unit cell.…”

Dynamics of Spin‐Dependent Polariton–Polariton Interactions in Two‐Dimensional Layered Halide Organic Perovskite Microcavities

“…[ 34,35 ] These works are generally focused on the regulation of the strong coupling intensity. In addition, owing to the presence of heavy atoms (Pb and I) in the inorganic sheet, a large spin−orbit coupling (SOC) was induced to 2D LHOP, [ 36 ] leading to various spin‐related characteristics such as the typical Rashba effect, [ 37 ] exciton spin coherence, [ 38 ] and long‐range spin‐funneling. [ 39 ] Inheriting the spin properties, 2D LHOP microcavity polaritons not only can provide a platform for revealing the fundamental physical processes of the spinor polaritons interactions, but also extend the possibility of engineering novel spintronic devices.…”