Structural dependence of quantum transport properties on topological nodal-line semimetal bilayer borophene

This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the ab initio band structure. The transport properties of armchair and zigzag bilayer borophene nanoribbons are then analyzed, both with and without periodic boundary conditions. In both scenarios, the nodal line causes conductance to increase with width and exhibit oscillations in narrow nanoribbons. Additionally, plots of current and charge density reveal that edge states have a more pronounced impact in narrower nanoribbons. Finally, uniaxial tensile strain is introduced as a tool to engineer the number of available transport channels. • Nodal line cause conductance oscillations at low energies. • Tight-binding model captures bilayer borophene’s bands and conductance. • Strain controls open channel numbers near zero energy. • Edge states in bilayer borophene appear in narrow ribbons, decoupling in wider ones.

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Publication Details

Journal
Computational Materials Science
Published
2025-02-16
DOI
https://doi.org/10.1016/j.commatsci.2025.113757
Primary Topic
Boron and Carbon Nanomaterials Research
Type
article
Field-Weighted Citation Impact
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article

Structural dependence of quantum transport properties on topological nodal-line semimetal bilayer borophene

D. A. Bahamon, C. E. Ardila-Gutiérrez, C.J. Páez-González
Computational Materials Science
Boron and Carbon Nanomaterials Research
article

Structural dependence of quantum transport properties on topological nodal-line semimetal bilayer borophene

D. A. Bahamon, C. E. Ardila-Gutiérrez, C.J. Páez-González
article en

Abstract

This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the ab initio band structure. The transport properties of armchair and zigzag bilayer borophene nanoribbons are then analyzed, both with and without periodic boundary conditions. In both scenarios, the nodal line causes conductance to increase with width and exhibit oscillations in narrow nanoribbons. Additionally, plots of current and charge density reveal that edge states have a more pronounced impact in narrower nanoribbons. Finally, uniaxial tensile strain is introduced as a tool to engineer the number of available transport channels. • Nodal line cause conductance oscillations at low energies. • Tight-binding model captures bilayer borophene’s bands and conductance. • Strain controls open channel numbers near zero energy. • Edge states in bilayer borophene appear in narrow ribbons, decoupling in wider ones.

Computational Materials ScienceVol. 251
Universidad Industrial de Santander (CO), Universidade Presbiteriana Mackenzie (BR)
Openalex Percentile: Top 98%
Boron and Carbon Nanomaterials Research
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Structural dependence of quantum transport properties on topological nodal-line semimetal bilayer borophene — D. A. Bahamon, C. E. Ardila-Gutiérrez, et al. · Computational Materials Science (2025) | TGRS Research Map | TGRS