Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons
作者： Xiaoyu Han , Henry Morgan Stewart , Stephen A. Shevlin , C. Richard A. Catlow , Zheng Xiao Guo
DOI: 10.1021/NL501658D
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摘要: Passivated phosphorene nanoribbons, armchair (a-PNR), diagonal (d-PNR), and zigzag (z-PNR), were investigated using density functional theory. Z-PNRs demonstrate the greatest quantum size effect, tuning the bandgap from 1.4 to 2.6 eV when the width is reduced from 26 to 6 Å. Strain effectively tunes charge carrier transport, leading to a sudden increase in electron effective mass at+ 8% strain for a-PNRs or hole effective mass at+ 3% strain for z-PNRs, differentiating the (mh*/me*) ratio by an order of magnitude in each case. Straining of …
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