3 papers
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…