Two-dimensional semiconductors: the case of silver thiolates
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Universidade Federal de Minas Gerais
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In this work, we apply first-principles calculations to investigate the electronic and structural properties of a layered compound based on the hexagonal arrangement of silver and sulfur atoms, a material that has been already synthesized and crystallographically characterized. We focus on the mono- and multilayer structures derived from the bulk material, showing that they hold great promise in applications related to nanotechnology. In particular, their direct band gaps may be greatly modulated by external fields as a result of a Stark effect, and a semiconductor-metal transition is predicted to take place for field magnitudes significantly smaller than those required to produce the same phenomenology in other nanostructures.
Abstract
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Teoria do Funcional da Densidade, Rede cristalina, Semicondutores, Nanotecnologia, Metais de transição
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2D materials, Layered compound, Silver thiolate, Density functional theory, Exchange correlation functionals, Local density approximations, First-principle calculations, Crystal lattices, Semiconductors, Stark effect, Nanotechnology, Transition metals
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https://pubs.aip.org/aip/apl/article/109/13/133104/32386/Two-dimensional-semiconductors-The-case-of-silver