Mixed halide perovskites are highly versatile semiconductors with applications in photovoltaics, light-emitting diodes, and photodetectors. Understanding their thermodynamic phase behavior is central to guiding compositional design and improving device stability. Here, we train machine-learned interatomic potentials (M...
Felix Uddén, E. Fransson, J. Wiktor et al.· 0 citations
Ruddlesden-Popper phases are highly tunable and naturally layered structures, in which polarization can arise via a hybrid improper ferroelectric mechanism. This enables a complex domain wall (DW) structure where multiple order parameters, like octahedral rotations, polar distortions and strain, interact. In this work,...
Ida C. Skogvoll, E. Fransson, Leo Ö. Westin et al.· 0 citations
Lead halide perovskites are promising optoelectronic materials for photovoltaics, light emission and detection. Their efficiencies in PV now approach the detailed-balance limit, leaving stability as the principal barrier. The intrinsic instabilities studied to date centre on ionic motion within a fixed, homogeneous lat...
M. Dubajić, Xia Liang, Johan Klarbring et al.· 0 citations
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