Abstract
The recent evolution of 2D monolayer transition metal dichalcogenides (TMDs) has emerged a new dimension towards more efficient nanoelectronic and nanophotonic applications. In this study, the stability and electronic features of monolayer WSTe alloy have been investigated by introducing external electric field to the layers. Geometrical structures, electronic band structures, the density of states (DOS), Stability, and Bader charge analysis of WSTe alloy have been evaluated with varying electric fields using density-functional theory (DFT) calculations. This investigation revealed that a transition from semiconducting to metallic characteristics occurred with an increasing electric field. The band gap varied remarkably because of the introduction electric field along the ±z directions and metallic characteristics was found to be at +1.2 V/nm for WSTe alloy. Furthermore, WSTe alloy retained its dynamic stability with varying electric fields. The outcomes of this study illuminate the changes in stability and electronic features of monolayer WSTe alloy with varying external electric fields that can be favorable for constructing future nanophotonic applications.
Published Version
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