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Tunable band gap of graphane nanoribbons under uniaxial elastic strain: a first-principles study

2011/11/28 by Yan Zhang, Zhang, Yan, Xiaojun Wu +5
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Carbon Nanotubes in Composites #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1111.6336

arxiv created 2011/11/28 · openalex publication_date 2011/11/28 · arxiv updated 2011/11/29 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

In this Letter, we investigate the strain-induced band-gap modulation of both armchair and zigzag graphane nanoribbons based on the first-principles calculations. Within the elastic range, the band gap changes linearly with the uniaxial strain, where the band-gap of graphane nanoribbonsis more sensitive to compressive than tensile deformation. The band-gap deformation mainly originates from the shift of valence band edge of graphane nanoribbons under stain. Our results imply the great potential of graphane nanoribbons in the pressure sensor and optical electronics applications.

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