Selenizing Possibilities of Cu2HgSnS4—i.e., Cu2HgSn(SexS1−x)4 Compound Semiconductor: Potential Candidate for Solar Photovoltaics and Photodetectors

Using first‐principles calculation with considering the strong correlation effect and spin–orbit coupling, Ambesh Dixit and co‐workers (article number 2200524) studied the optoelectronics of selenium alloying in the Cu2HgSn(SexS1−x)4 compound. These compounds are found to span a range of bandgaps from visible (1.33 eV) to infrared (0.81 eV). The direct nature with a good absorption coefficient make them suitable for optical transitions, enabling photovoltaics (single or multijunction solar cells) and infrared photodetectors. Examining the mechanical properties, these are found stable with ductile character, which also opens the possibility for flexible absorber‐based devices.