https://doi.org/10.1140/epjb/s10051-021-00102-1
Regular Article - Computational Methods
Twisted helical armchair graphene nanoribbons: mechanical and electronic properties
1
Department of Physics, Himachal Pradesh University, Summer Hill, 171005, Shimla, Himachal Pradesh, India
2
Department of Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, 151001, Bathinda, Punjab, India
3
Department of Physics, School of Basic and Applied Sciences, Maharaja Agrasen University, Atal Shiksha Kunj, Barotiwala, 174103, Solan, Himachal Pradesh, India
Received:
12
October
2020
Accepted:
14
April
2021
Published online:
8
May
2021
The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H & F AGNRs), subjected to twist deformation within fixed periodic boundary conditions. H-AGNRs is highly elastic in nature, though passivation with Fluorine does induce the plasticity when twisted beyond threshold torsional strain. This plasticity attributes to the wider bond length distribution suggests distortion of benzo-rings. The bandgap response to the effective strain of narrow GNRs 
, and 8 get arranged as (i) monotonously increasing for 
and (ii) decreasing for 
; here, 
in effective strain space 
. The effective strain space is found to be more appropriate for gauging the response of torsional strain. This trend has also been observed for Fluorine passivated AGNRs; however, because of higher sensitive response to torsional strain, the bandgap of 
7 F-AGNRs drops from 
to 
at extreme torsional strain forming Dirac cone at 
allows dissipationless transport to charge carriers of high kinetic energy at low bias.
Supplementary Information The online version supplementary material available at https://doi.org/10.1140/epjb/s10051-021-00102-1.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2021
