Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites

Abstract

In a combined theoretical and experimental work, we investigate X-ray Absorption Near-Edge Structure (XANES) spectroscopy of the I $L_3$ and the Pb $M_5$ edges of the methylammonium lead iodide (${\text{MAPbI}}_3$) hybrid inorganic-organic perovskite and its binary phase ${\text{PbI}}_2$. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred meV and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in ${\text{MAPbI}}_3$ are essentially given by its inorganic component, with negligible influence from the organic groups. The theoretical analysis complementing experimental observations provides the conceptual insights required for a full characterization of this complex material.

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• All-electron many-body approach to resonant inelastic x-ray scattering
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