Kumar, AshokPandey, RavindraAhluwalia, P. K.Tankeshwar, K.2019-03-222024-08-132019-03-222024-08-132016Kumar A., Pandey R., Ahluwalia P.K. et.al. (2016) Topological insulator behavior of WS 2 monolayer with square-octagon ring structure9.78E+120094243X10.1063/1.4948215https://kr.cup.edu.in/handle/32116/2070We report electronic behavior of an allotrope of monolayer WS 2 with a square octagon ring structure, refereed to as (so-WS 2 ) within state-of-the-art density functional theory (DFT) calculations. The WS 2 monolayer shows semi-metallic characteristics with Dirac-cone like features around Cyrillic capital letter GHE. Unlike p-orbital's Dirac-cone in graphene, the Dirac-cone in the so-WS 2 monolayer originates from the d-electrons of the W atom in the lattice. Most interestingly, the spin-orbit interaction associated with d-electrons induce a finite band-gap that results into the metal-semiconductor transition and topological insulator-like behavior in the so-WS 2 monolayer. These characteristics suggest the so-WS 2 monolayer to be a promising candidate for the next-generation electronic and spintronics devices.enDFTElectronic StructureMonolayerTMDsTopological InsulatorConference Paperhttps://aip.scitation.org/doi/abs/10.1063/1.4948215