説明
<jats:title>Abstract</jats:title><jats:p>Two-dimensional (2D) transition-metal dichalcogenides (TMDs), most notably, MoS<jats:sub>2</jats:sub> and WS<jats:sub>2</jats:sub>, have attracted significant attention due to their sizable and direct bandgap characteristics. Although several interesting MoS<jats:sub>2</jats:sub> and WS<jats:sub>2</jats:sub>-based optoelectronic devices have been reported, their processability and reproducibility are limited since their electrical properties are strongly dependent of the number of layers, strain and sample sizes. It is highly desirable to have a robust direct bandgap TMD, which is insensitive to those factors. In this work, using density functional theory, we explore the effects of layer number, strain and ribbon width on the electronic properties of ReS<jats:sub>2</jats:sub>, a new member in the TMD family. The calculation results reveal that for monolayer ReS<jats:sub>2</jats:sub>, the nature (direct versus indirect) and magnitude of its bandgap are insensitive to strain. Importantly, the predicted bandgap and also charge carrier mobilities are nearly independent of the number of layers. In addition, the direct bandgap of ReS<jats:sub>2</jats:sub> nanoribbons is only weakly dependent on their width. These robust characteristics strongly suggest that ReS<jats:sub>2</jats:sub> has great potential for applications in optoelectronic nanodevices.</jats:p>
収録刊行物
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- Scientific Reports
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Scientific Reports 5 (1), 2015-09-08
Springer Science and Business Media LLC