Abstract

Net-Y is a new two-dimensional carbon structure, which has attracted research interest recently. Here, we study the relevant AB-type ribbons with edge modification, focusing on their strain controlling effects on their electronic structure and device characteristics. Intrinsic ribbons are metallic, but hydrogen or oxygen termination can transform them into semiconductors. Applying strain can effectively control the band gap size, resulting in a transition from an indirect band gap to a smaller direct band gap under appropriate strain, favorably to light absorbing. Strain can also change the work function of ribbons, especially for compressive strains, the work function is lowered significantly, which is beneficial to the improving of the field emission behaviors of ribbons. The analysis demonstrates that the change in band gap size is closely related to the variation of bonding and non-bonding composition between atoms with strain, while the change of work function is due to the variation of the attraction force and repulsion force between atoms upon strain. More interestingly, the strain can significantly regulates the <i>I</i>-<i>V</i> characteristic of device based on related ribbons. Therefore, a strain-gated mechanical switch with a very high current switching ratio <i>I</i><sub>on</sub>/<i>I</i><sub>off</sub> can be obtained by making it reversibly work between the “on” and “off” states with stretching and compressing ribbons, which is of great significance in developing the logic circuits for flexible wearable electronic devices.

Highlights

  • We study the relevant AB-type ribbons with edge modification, focusing on their strain controlling effects on their electronic structure and device characteristics

  • The analysis demonstrates that the change in band gap size is closely related to the variation of bonding and non-bonding composition between atoms with strain, while the change of work function is due to the variation of the attraction force and repulsion force between atoms upon strain

  • 基于密度泛函理论的第一性原理计算方法, 研 究了 net-Y 裁剪后 AB 型纳米带在 H 和 O 端接后

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Summary

Introduction

非金属原子边缘修饰InSe纳米带的磁电子学特性及应变调控 Magneto-electronic properties of InSe nanoribbons terminated with non-metallic atoms and its strain modulation 物理学报. Fe3GeTe2纳米带的结构稳定性、磁电子性质及调控效应 Structure stability, magneto-electronic properties, and modulation effects of Fe3GeTe2 nanoribbons 物理学报. 氢化二维过渡金属硫化物的稳定性和电子特性: 第一性原理研究 Stability and electronic structure of hydrogenated two-dimensional transition metal dichalcogenides: First-principles study 物理学报. 本征磁性拓扑绝缘体MnBi2Te4电子结构的压力应变调控 Pressure strain control of electronic structure of intrinsic magnetic topological insulator MnBi2Te4 物理学报.

Results
Conclusion

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