Abstract:We present the energetics, structural and electronic properties of SnS 2 monolayer stacked with MoS 2 and WS 2 monolayers making the van der Waals heterolayers using the first-principles methods. The exchange-correlation functionals used are the LDA, GGA functionals as well as the newly developed variants of non local van der Waals (vdW) exchange-correlation functionals, namely vdW-DF-revPBE and vdW-DF2-C09. We also considered the combinations of hetero-layers that involve all the three SnS 2 , MoS 2 and WS 2 … Show more
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