2014
DOI: 10.1021/nl501658d
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Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons

Abstract: Passivated phosphorene nanoribbons, armchair (a-PNR), 7 diagonal (d-PNR), and zigzag (z-PNR), were investigated using density 8 functional theory. Z-PNRs demonstrate the greatest quantum size effect, 9 tuning the bandgap from 1.4 to 2.6 eV when the width is reduced from 26 to 6 10 Å. Strain effectively tunes charge carrier transport, leading to a sudden increase 11 in electron effective mass at +8% strain for a-PNRs or hole effective mass at 12 +3% strain for z-PNRs, differentiating the (m h */m e *) ratio by … Show more

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Cited by 322 publications
(285 citation statements)
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“…Similar phenomenon was observed in the similar structure of armchair puckered phosphorene nanoribbons. 11 In addition, at stretching strains, both m * h and m * e is lowered slightly in comparison with the case of no strain, as seen from Table II). However, this does not affect the carrier transport property much since the ratio m * h /m * e keeps almost unchanged.…”
Section: Electronic Structures Of Aanrs At Strainsmentioning
confidence: 69%
See 2 more Smart Citations
“…Similar phenomenon was observed in the similar structure of armchair puckered phosphorene nanoribbons. 11 In addition, at stretching strains, both m * h and m * e is lowered slightly in comparison with the case of no strain, as seen from Table II). However, this does not affect the carrier transport property much since the ratio m * h /m * e keeps almost unchanged.…”
Section: Electronic Structures Of Aanrs At Strainsmentioning
confidence: 69%
“…Additionally, tensile strains apparently enhance the bandgap width, which was also observed in puckered phosphorene nanoribbons. 11 As strain is applied between ε = +1% and ε = +10%, the bandgap increases from 0.94 eV to 1.12 eV (see Table II). In contrast, compressive strain reduces the energy gap.…”
Section: Electronic Structures Of Aanrs At Strainsmentioning
confidence: 99%
See 1 more Smart Citation
“…10-17 For example, a large uniaxial strain in the direction normal to the SLBP plane can even induce a semiconductor-metal transition. [18][19][20][21] We thus investigate the mechanical strain effect on the BPRs of armchair and zigzag directions, at different temperatures.In this work, we examine the effect of mechanical tension on single-layer BPR (SLBPR) via classical molecular dynamical (MD) simulations. Both uniaxial and biaxial tension are found to increase the quality factor of the SLBPR, as the resonant frequency is enhanced by the applied tension.…”
mentioning
confidence: 99%
“…For recently emerging two-dimensional materials, many properties related to the lattice orientation have also been revealed. For instance, distinct electronic and optical properties of armchair, diagonal and zigzag structures have been theoretically predicted using density functional theory (DFT) for phosphorene nanoribbons [8]. Recent research has shown that piezoelectric charges prefer to accumulate on the zigzag structures rather than the armchair edges of molybdenum disulfide (MoS 2 ) [9], probably due to the metallic behaviour of the zigzag edges.…”
Section: Introductionmentioning
confidence: 99%