@inproceedings{805256d92afd4354b55464dbbba0ef65,
title = "Ripples, phonons and bandgap in strained graphene",
abstract = "Using a novel interatomic force field, called MMP, we study the morphology of Graphene layers under a variety of strain conditions. We report that strain induced ripples possess the 'right' kind of elastic deformation that is necessary in order to produce appreciable bandgap opening, which we calculate using Tight Binding, even for low enough strain that can be accessed through realistic means. At the same time the vibrational properties, calculated from analytic derivatives of the MMP force field and used within the dynamics matrix method, can be easily linked to strain obtained from Molecular Dynamics, opening the way for accurate modelling of Raman data. We also show that our models have allowed us to realize in practice novel devices based on our predictions.",
keywords = "Empirical interatomic potential, Graphene, Molecular Dynamics, Tight Binding",
author = "U. Monteverde and J. Pal and Dawood, {O. M.} and Li, {Z. L.} and Young, {R. J.} and Kim, {H. Y.} and M. Missous and L. Britnell and Migliorato, {M. A.}",
year = "2015",
month = may,
day = "10",
doi = "10.1109/NUSOD.2015.7292849",
language = "English",
isbn = " 9781479983780",
series = "Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD",
publisher = "IEEE Computer Society ",
pages = "115--116",
editor = "Yuh-Renn Wu and Joachim Piprek",
booktitle = "15th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2015",
address = "United States",
note = "15th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2015 ; Conference date: 07-09-2015 Through 11-09-2015",
}