Proceedings of MATSUS Fall 2026 Conference (MATSUSFall26)
Publication date: 22nd July 2026
To model the charge transfer dynamics of mixed phase 2D-3D Perovskite films, the relative volume fraction of individual phases needs to be quantified. This should be doable with XRD but often the signal from the intermediate phases is too low to measure. Here we propose a method using Elliott theory and band anharmonicity to extract the phase composition from absorption spectra. The absorption features of the different phases overlap in the absorption spectra so to disentangle them we first predict the band-gaps and exciton binding energies for each phase using an empirical exciton binding energy scaling law [1] and a modified finite quantum well description of confinement effects on the band gap. This gives us a first estimate of the expected locations of the exciton absorption features that we can then use to generate an Elliott fit for each phase and combine them to fit the whole absorption spectrum. The assumption of parabolic bands in Elliott models usually means they fail at energies more than ~100meV above the band-gap which is far bellow the change in band edge we measure when comparing a 3D phase pure to an n=1 2D phase pure sample. Here we include a non parabolicity correction term to extend the energy range which the model fits over. We show how the model can be used to extract the relative phase volume fraction and can quantify how changes in fabrication routes and the introduction of additives impact the final heterostructure. Our work offers a new tool for analysing phase composition in mixed 2D/3D perovskites using widely accessible optical methods.
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