Density Functional Theory Study of Bandgap Modulation of Si2N-h2D Crystal Nanoribbons and Nanotubes Under Elastic Strain

Since efficient synthesis of C 2 N holey two-dimensional (h2D) crystal has been possible, bandgap modulation through use of analogous nanoribbon and nanotube structures has attracted strong interest. In this study, bandgap modulation of Si 2 N-h2D nanoribbons and nanotubes under elastic strain has b...

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Bibliographic Details
Published in:Journal of electronic materials 2017-04, Vol.46 (4), p.2241-2247
Main Authors: Ma, ShengQian, Li, Feng, Geng, JiGuo
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Chemistry and Materials Science
Electronics and Microelectronics
Instrumentation
Materials Science
Optical and Electronic Materials
Solid State Physics
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Summary:Since efficient synthesis of C 2 N holey two-dimensional (h2D) crystal has been possible, bandgap modulation through use of analogous nanoribbon and nanotube structures has attracted strong interest. In this study, bandgap modulation of Si 2 N-h2D nanoribbons and nanotubes under elastic strain has been deeply researched using density functional theory calculations. The results indicate that the bandgap of Si 2 N-h2D nanoribbons and nanotubes in zigzag and armchair configurations can be tuned in both directions, namely by stretching or compressing, in the range of ɛ  = ( d  −  d 0 )/ d 0 from −10% to 10%. It is also found that the bandgap of Si 2 N-h2D nanoribbons and nanotubes varies with their width. Therefore, it is predicted that Si 2 N-h2D nanoribbons and nanotubes have great potential for application in nanoscale strain sensors and optoelectronics.
ISSN:0361-5235
1543-186X
DOI:10.1007/s11664-016-5164-3