Scaling laws of band gaps of phosphorene nanoribbons: A tight-binding calculation

In this study, we analyze the band structure, the state characterization, and electronic transport of monolayer black phosphorus (phosphorene) zigzag nanoribbons (zPNRs) and armchair nanoribbons (aPNRs), using five-parameter tight-binding (TB) approximation. In zPNRs, the ratio of the two dominant h...

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Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-02, Vol.91 (8), Article 085409
Main Authors: Taghizadeh Sisakht, Esmaeil, Zare, Mohammad H., Fazileh, Farhad
Format: Article
Language:English
Subjects:
Bands
Chairs
Condensed matter
Conduction band
Energy gaps (solid state)
Mathematical analysis
Nanostructure
Ribbons
Scaling laws
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Summary:In this study, we analyze the band structure, the state characterization, and electronic transport of monolayer black phosphorus (phosphorene) zigzag nanoribbons (zPNRs) and armchair nanoribbons (aPNRs), using five-parameter tight-binding (TB) approximation. In zPNRs, the ratio of the two dominant hopping parameters indicates the possibility of a relativistic dispersion relation and the existence of a pair of separate quasiflat bands at the Fermi level. Moreover, the corresponding states are edge localized if their bands are well separated from the valence and conduction bands. We also investigated the scaling laws of the band gaps versus ribbon widths for the armchair and zigzag phosphorene nanoribbons. In aPNRs, the transverse electric field along the ribbon width enhances the band gap closure by shifting the energy of the valence and conduction band edge states. For zPNRs, a gap occurs at the middle of the relatively degenerate quasiflat bands; thus, these ribbons are a promising candidate for future field-effect transistors.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.91.085409