Optical, Electronic, and Magnetic Engineering of ⟨111⟩ Layered Halide Perovskites

Antimony
and bismuth ⟨111⟩ layered perovskites have
recently attracted significant attention as possible, nontoxic alternatives
to lead halide perovskites. Unlike lead halide perovskites, however,
⟨111⟩ halide perovskites have shown  limited ability
to tune their optical and electronic properties. Herein, we report
on the metal alloying of manganese and copper into the family of materials
with formula Cs4Mn1–xCuxSb2Cl12 (x = 0–1). By changing the concentration of manganese
and copper, we show the ability to modulate the bandgap of this family
of compounds over the span of  2 electron volts, from 3.0 to
1.0 eV. Furthermore, we show that in doing so, we can also adjust
other relevant properties such as their magnetic behavior and their
electronic structure.