10 citations · 12 across the 8 of their papers we have counts for
10 papers
Unifying Low-Frequency Raman and Infrared Signatures across Perovskites
Ethan Berger, Erik Fransson, Apinya Ngoipala +5
Perovskites have been studied for a wide range of applications, from oxide-based ferroelectrics to halide-perovskite photovoltaics. Despite their diverse functionalities, these mat…
Anomalous polar chains in halide perovskites
Erik Fransson, Apinya Ngoipala, Priyanka Deswal +4
Local polar distortions, their collective ordering, and their field-driven reversal have been studied extensively in ferroelectric perovskites for decades. Here we identify an unus…
Strong Impact of Halide Ordering on Structural Phase Transitions in Mixed Perovskites
Felix Uddén, Erik Fransson, Julia Wiktor +3
Mixed halide perovskites are highly versatile semiconductors with applications in photovoltaics, light-emitting diodes, and photodetectors. Understanding their thermodynamic phase…
Interplay of B-Site Off-Centering and Molecular Orientations in the Mixed Hybrid Perovskite MAGe1xSnxI3
Erik Fransson, Apinya Ngoipala, Oskar Öjstedt +3
B-site mixing is a common strategy for tuning properties of halide perovskites. In the lead-free system MAGe1-xSn_xI3, it brings tilting and off-centering into competition. Using l…
Thermal history controls the optoelectronic response of lead halide perovskites through structure and dynamics
Milos Dubajic, Xia Liang, Johan Klarbring +26
Lead halide perovskites are promising optoelectronic materials for photovoltaics, light emission and detection. Their efficiencies in PV now approach the detailed-balance limit, le…
Octahedral Tilting in Halide Double Perovskites: Disentangling Lone-Pair Chemistry and Geometric Effects
Mehmet Baskurt, Erik Fransson, Madeleine Lindvik +2
Halide double perovskites (HDPs) have emerged as promising alternatives to their lead-based counterparts. However, their structural dynamics is less explored than that of conventio…
qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations
Zheyong Fan, Benrui Tang, Esmée Berger +13
Although electrostatics can be incorporated into machine-learned interatomic potentials, existing approaches are computationally very demanding, limiting large-scale, long-time sim…
Thermal Stabilization of Defect Charge States and Finite-Temperature Charge Transition Levels
Tobias Hainer, Ethan Berger, Esmée Berger +3
Point defects introduce localized electronic states that critically affect carrier trapping, recombination, and transport in functional materials. The associated charge transition…
Revealing the Low Temperature Phase of FAPbI using A Machine-Learned Potential
Sangita Dutta, Erik Fransson, Tobias Hainer +4
FAPbI is a material of interest for its potential in solar cell applications, driven by its remarkable optoelectronic properties. However, the low-temperature phase of FAPbI$_3…
A Morphotropic Phase Boundary in MAFAPbI: Linking Structure, Dynamics, and Electronic Properties
Tobias Hainer, Erik Fransson, Sangita Dutta +2
Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase dia…