Machine Learning-Accelerated Band-Edge Engineering of Pnictogen Chalcohalide Solid Solutions for Solar Energy Technologies

Cibrán López, David Rovira, Edgardo Saucedo +1

Pnictogen chalcohalide (MChX; M=Bi,Sb; Ch=S,Se; X=I,Br) solid solutions combine earth-abundant constituents, tunable band gaps ($1.2$-$2.1$ eV), and strong optical absorption, maki…