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Open Access Optical transitions and localized edge states in skewed zigzag phosphorene nanoribbons

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Using the Tight Binding (TB) parameters extracted from Density Functional Theory (DFT) and Recursive Green's Function method (RGF), it is shown that skewed-zigzag black phosphorus (phosphorene) nanoribbons obtain large and tuneable bandgap in response to vertical and transverse electric fields. Depending on the direction of the applied field the mid-gap states could possess the localized or metallic nature i.e., non-zero midgap density of states. Adjustability of the bandgap and optical dipole transition matrix elements are explained based on the symmetry of involved band edge states. This promises new electronic and optical devices based on phosphorene nanoribbons.
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Keywords: 2D MATERIALS; DIPOLE MOMENT MATRIX ELEMENT (MEL); EDGE STATE; PHOSPHORENE NANORIBBON; PHOTO DETECTOR; RECURSIVE GREEN'S FUNCTION METHOD

Document Type: Research Article

Publication date: December 1, 2018

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  • Materials Express is a peer-reviewed multidisciplinary journal reporting emerging researches on materials science, engineering, technology and biology. Cutting-edge researches on the synthesis, characterization, properties, and applications of a very wide range of materials are covered for broad readership; from physical sciences to life sciences. In particular, the journal aims to report advanced materials with interesting electronic, magnetic, optical, mechanical and catalytic properties for industrial applications.
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