Mutual influence of uniaxial tensile strain and point defect pattern on electronic states in graphene

Iyor Yu. Sagalianov, Taras M. Radchenko (), Yuriy I. Prylutskyy, Valentyn A. Tatarenko and Pawel Szroeder
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Iyor Yu. Sagalianov: Dept. of General Physics, Taras Shevchenko National University of Kyiv
Taras M. Radchenko: Dept. of Metallic State Theory, G. V. Kurdyumov Institute for Metal Physics of N.A.S. of Ukraine
Yuriy I. Prylutskyy: Dept. of Biophysics, Institute of Biology and Medicine, Taras Shevchenko National University of Kyiv
Valentyn A. Tatarenko: Dept. of Metallic State Theory, G. V. Kurdyumov Institute for Metal Physics of N.A.S. of Ukraine
Pawel Szroeder: Institute of Physics, Kazimierz Wielki University

The European Physical Journal B: Condensed Matter and Complex Systems, 2017, vol. 90, issue 6, 1-9

Abstract: Abstract The study deals with electronic properties of uniaxially stressed mono- and multi-layer graphene sheets with various kinds of imperfection: point defects modelled as resonant (neutral) adsorbed atoms or molecules, vacancies, charged impurities, and local distortions. The presence of randomly distributed defects in a strained graphene counteract the band-gap opening and even can suppress the gap occurs when they are absent. However, impurity ordering contributes to the band gap appearance and thereby re-opens the gap being suppressed by random dopants in graphene stretched along zigzag-edge direction. The band gap is found to be non-monotonic with strain in case of mutual action of defect ordering and zigzag deformation. Herewith, the minimal tensile strain required for the band-gap opening (≈12.5%) is smaller than that for defect-free graphene (≈23%), and band gap energy reaches the value predicted for maximal nondestructive strains in the pristine graphene. Effective manipulating the band gap in graphene requires balanced content of ordered dopants: their concentration should be sufficient for a significant sublattice asymmetry effect, but not so much that they may suppress the band gap or transform it into the “quasi- (or pseudo-) gap”.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2017
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DOI: 10.1140/epjb/e2017-80091-x

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