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Charge-carrier transmission across twins in graphene

Arca, F. and Mendez, J. P. and Ortiz, M. and Ariza, M. P. (2020) Charge-carrier transmission across twins in graphene. Journal of Physics: Condensed Matter, 32 (42). Art. No. 425003. ISSN 0953-8984. doi:10.1088/1361-648x/aba0d9.

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Twinning is a known accommodation mechanism of graphene that results in low-energy microstructures or twins. In view of their mechanical stability, twins suggest themselves as a possible means of introducing extended defects in graphene leading to the opening of transmission band gaps. We investigate charge-carrier transmission across the twin structures in graphene using the Landauer-Büttiker (LB) formalism in combination with a tight-binding model. We verify the approach by means of selected comparisons with Density Functional Theory (DFT) and non-equilibrium Green's function (NEGF) calculations using the code SIESTA and TRANSIESTA. The calculations reveal that graphene twins open transport gaps depending on the twin geometry up to maximum of 1.15 eV. As previously reported for grain boundaries, we find that localized states arise at dislocation cores in the twin boundaries that introduce peaks near the Fermi level.

Item Type:Article
Related URLs:
URLURL TypeDescription
Arca, F.0000-0003-2473-4589
Mendez, J. P.0000-0002-9493-0879
Ortiz, M.0000-0001-5877-4824
Ariza, M. P.0000-0003-0266-0216
Additional Information:© 2020 IOP Publishing Ltd. Received 12 May 2020; Accepted 29 June 2020; Accepted Manuscript online 29 June 2020; Published 27 July 2020.
Funding AgencyGrant Number
Consejería de Economía, Innovación, Ciencia y Empleo, Junta de AndalucíaP12-TEP-850
Ministerio de Ciencia, Innovación y Universidades (MCIU)RTI2018-094325-B-I00
Issue or Number:42
Record Number:CaltechAUTHORS:20200708-075007084
Persistent URL:
Official Citation:F Arca et al 2020 J. Phys.: Condens. Matter 32 425003
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:104269
Deposited By: Tony Diaz
Deposited On:08 Jul 2020 15:37
Last Modified:12 Jul 2022 16:42

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