Abstract:This study investigated the structural and electronic properties of bulk, bilayer, and monolayer SnSe using the density functional theory (DFT) method. We succeeded in calculating the bandgap and identifying accurately the transformation of the band structure from bulk to monolayer systems using generalized gradient approximation. An increase in the lattice parameter a and a decrease in the lattice parameter b were observed when the bulk dimensions were reduced to a monolayer. The reduction of van der Waals in… Show more
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