3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
Kinetically Arrested Twin-Domain State in Formamidinium Lead Iodide
Xia Liang, Milos Dubajic, Zezhu Zeng +4
Hybrid lead halide perovskites exhibit a delicate interplay between average crystallographic symmetry, local structural disorder and A-site orientational dynamics, giving rise to u…
cond-mat.mtrl-sci2026
Multi-fidelity Machine Learning Interatomic Potentials for Charged Point Defects
Xinwei Wang, Irea Mosquera-Lois, Aron Walsh
Machine learning interatomic potentials (MLIPs) can now reproduce the energy, forces and stresses of bulk materials with high accuracy compared to first-principles calculations. Th…