Acute mechano-electronic responses in twisted phosphorene nanoribbons

Woosun Jang, Kisung Kang, Aloysius Soon

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials-phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a striking difference in the change in the carrier effective mass as a function of torque angle (and thus, the corresponding change in carrier mobility) between the zigzag and armchair directions in these TPNRs. The accompanied tunable band-gap energies for the hydrogen-passivated zigzag TPNRs may then be exploited for various key opto-electronic nanodevices.

Original languageEnglish
Pages (from-to)14778-14784
Number of pages7
JournalNanoscale
Volume8
Issue number31
DOIs
Publication statusPublished - 2016 Aug 21

All Science Journal Classification (ASJC) codes

  • Materials Science(all)

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