Bandgap scaling and negative differential resistance behavior of zigzag phosphorene antidot nanoribbons (ZPANRs)

Literature Information

Publication Date 2018-05-01
DOI 10.1039/C8CP01435C
Impact Factor 3.676
Authors

Santhia Carmel, Adhithan Pon, N. Meenakshisundaram, R. Ramesh, Arkaprava Bhattacharyya


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Abstract

This work examines the prospect of phosphorene antidot nanoribbons (PANRs) using the density functional based tight binding (DFTB) method. Horizontally perforated PANRs with both armchair (A) and zigzag (Z) configurations were considered for electrical simulations. Our simulation results found that the APANRs cannot be scaled down with nanoribbon width, whereas ZPANRs can be scaled easily. Bandgap scaling in terms of ribbon width, length and antidot number was thoroughly analyzed for ZPANRs. In the end, a two-terminal device was constructed and transmission analysis was performed using the non-equilibrium Green's function (NEGF) methodology. A negative differential resistance (NDR) region appeared in the current–voltage characteristics of the ZPANRs, which paved a pathway for nano-device application.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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