Topological insulator behavior of WS 2 monolayer with square-octagon ring structure
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Date
2016
Authors
Kumar, Ashok
Pandey, Ravindra
Ahluwalia, P. K.
Tankeshwar, K.
Journal Title
Journal ISSN
Volume Title
Publisher
American Institute of Physics Inc.
Abstract
We 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.
Description
Keywords
DFT, Electronic Structure, Monolayer, TMDs, Topological Insulator
Citation
Kumar A., Pandey R., Ahluwalia P.K. et.al. (2016) Topological insulator behavior of WS 2 monolayer with square-octagon ring structure