Scaling laws for the band gap and optical response of phosphorene nanoribbons
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We report the electronic structure and optical absorption spectra of monolayer black phosphorus (phosphorene) nanoribbons (PNRs) via first-principles simulations. The band gap of PNRs is strongly enhanced by quantum confinement. However, differently orientated PNRs exhibit distinct scaling laws for the band gap vs the ribbon width $w$. The band gaps of armchair PNRs scale as $1/{w}^{2}$, while zigzag PNRs exhibit a $1/w$ behavior. These distinct scaling laws reflect a significant implication of the band dispersion of phosphorene: electrons and holes behave as nonrelativistic particles along the zigzag direction but resemble relativistic particles along the armchair direction. This unexpected merging of nonrelativistic and relativistic properties in a single material may produce novel electrical and magnetotransport properties of few-layer black phosphorus and its ribbon structures. Finally, the respective PNRs host electrons and holes with markedly different effective masses and optical absorption spectra, which are suitable for a wide range of applications.
Subfields: Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/f9df84a9f5b1b7ccfb3d5076e994049a6e75a1f8
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In Materials Chemistry
Citations in the corpus
- Recent Advances in the Study of Phosphorene and its Nanostructures (2017, background): “(and OH group) decreases with the nanoribbon width, obeying the scaling behavior EZZ g » 16 w, predicted previously for H-passivated ZZ PNRs.(253,254)”