Effects of strain and electric fields on the electronic transport properties of single-layer β12-borophene nanoribbons

Literature Information

Publication Date 2021-08-06
DOI 10.1039/D1CP00340B
Impact Factor 3.676
Authors

M. Davoudiniya, K. Mirabbaszadeh


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Abstract

Motivated by recent experimental and theoretical research on a monolayer of boron atoms, borophene, the transmission probability and current–voltage characteristics of β12-borophene nanoribbons (BNRs) with zigzag and armchair edges have been calculated using the five-band tight-binding calculation, the Green's function approach, and the Landauer–Büttiker formalism. We focus on the effects of the geometrical parameters, perpendicular electric field, and external strain on the electronic transport properties of β12-BNRs by considering the effects of the substrate. Our calculations show that the transmission coefficient and current of the system decrease by increasing the channel length, whereas increasing ribbon width leads to an increment in the transmission probability as well as the I–V characteristic of β12-BNRs. Besides, the application of tensile strain causes a decrement in the current of the inversion symmetric model of the armchair β12-BNR, whereas the current increases in the presence of compressive strain. We also observed a dip in the transmission spectrum of the biased β12-BNR along the armchair direction which shows a metal-to-n-doped semiconductor phase transition in the device when applying a strong enough electric field. Moreover, the current of the inversion symmetric model of the β12-BNR with zigzag and armchair edges increases with the application of a perpendicular electric field, while in the case of the homogeneous model, the application of an electric field enhances the current of the β12-BNR only in the zigzag direction. These results provide insights for future experimental research and show that β12-BNRs are potential candidates for next-generation electronic devices.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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