Associated Lattice and Electronic Structural Evolutions in Compressed Multilayer ReS₂

The transition metal dichalcogenide (TMD) ReS₂ is a promising material for optoelectronic devices because of its remarkable quantum yield. Pressure can effectively tune the optoelectronic properties of TMDs through control of the atomic displacement. Here, we systematically investigated the lattice and electronic structural evolutions of compressed multilayer ReS₂. Both Raman spectra and first-principles calculations suggest the occurrence of an intralayer phase transition followed by an interlayer transition. A transition from one indirect to another indirect bandgap at 2.7 GPa was revealed by both high-pressure photoluminescence (PL) measurements and first-principles calculations, this behavior was elucidated by considering the fundamental relationship between lattice variation and electronic evolution. Moreover, by comparing the high-pressure behavior of MoS₂ and ReS₂, we demonstrated interlayer coupling plays a critical role in determining the lattice and electronic structures in compressed TMDs. Our findings suggest the potential application of ReS₂ in fabricating various stacking devices with tailored properties.