“The electronic properties of graphene and graphene ribbons under simple shear strain”. Sena SHR, Pereira JM, Farias GA, Peeters FM, Costa Filho RN, Journal of physics : condensed matter 24, 375301 (2012). http://doi.org/10.1088/0953-8984/24/37/375301
Abstract: A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 15
DOI: 10.1088/0953-8984/24/37/375301
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“Valley polarization due to trigonal warping on tunneling electrons in graphene”. Pereira JM, Peeters FM, Costa Filho RN, Farias GA, Journal of physics : condensed matter 21, 045301 (2009). http://doi.org/10.1088/0953-8984/21/4/045301
Abstract: The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 78
DOI: 10.1088/0953-8984/21/4/045301
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“Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons”. Miranda LP, da Costa DR, Peeters FM, Costa Filho RN, Nanotechnology 34, 055706 (2023). http://doi.org/10.1088/1361-6528/AC9F50
Abstract: Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 3.5
Times cited: 1
DOI: 10.1088/1361-6528/AC9F50
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“Control of proton transport and hydrogenation in double-gated graphene”. Tong J, Fu Y, Domaretskiy D, Della Pia F, Dagar P, Powell L, Bahamon D, Huang S, Xin B, Costa Filho RN, Vega LF, Grigorieva IV, Peeters FM, Michaelides A, Lozada-Hidalgo M, Nature 630, 619 (2024). http://doi.org/10.1038/s41586-024-07435-8
Abstract: The basal plane of graphene can function as a selective barrier that is permeable to protons but impermeable to all ions and gases, stimulating its use in applications such as membranes, catalysis and isotope separation. Protons can chemically adsorb on graphene and hydrogenate it, inducing a conductor–insulator transition that has been explored intensively in graphene electronic devices. However, both processes face energy barriersand various strategies have been proposed to accelerate proton transport, for example by introducing vacancies, incorporating catalytic metalsor chemically functionalizing the lattice. But these techniques can compromise other properties, such as ion selectivity or mechanical stability. Here we show that independent control of the electric field,<italic>E</italic>, at around 1 V nm<sup>−1</sup>, and charge-carrier density,<italic>n</italic>, at around 1 × 10<sup>14</sup> cm<sup>−2</sup>, in double-gated graphene allows the decoupling of proton transport from lattice hydrogenation and can thereby accelerate proton transport such that it approaches the limiting electrolyte current for our devices. Proton transport and hydrogenation can be driven selectively with precision and robustness, enabling proton-based logic and memory graphene devices that have on–off ratios spanning orders of magnitude. Our results show that field effects can accelerate and decouple electrochemical processes in double-gated 2D crystals and demonstrate the possibility of mapping such processes as a function of<italic>E</italic>and<italic>n</italic>, which is a new technique for the study of 2D electrode–electrolyte interfaces.
Keywords: A1 Journal Article; Condensed Matter Theory (CMT) ;
Impact Factor: 64.8
DOI: 10.1038/s41586-024-07435-8
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“Graphene ribbons with a line of impurities: oOpening of a gap”. Costa Filho RN, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 76, 193409 (2007). http://doi.org/10.1103/PhysRevB.76.193409
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 49
DOI: 10.1103/PhysRevB.76.193409
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“Polaron effects in electron channels on a helium film”. Farias GA, Costa Filho RN, Peeters FM, Studart N, Physical review : B : condensed matter and materials physics 64, 104301 (2001). http://doi.org/10.1103/PhysRevB.64.104301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.64.104301
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“Landau levels in graphene bilayer quantum dots”. Pereira JM, Peeters FM, Vasilopoulos P, Costa Filho RN, Farias GA, Physical review : B : solid state 79, 195403 (2009). http://doi.org/10.1103/PhysRevB.79.195403
Abstract: We investigate localized electron and hole states in parabolic quantum dots of biased graphene bilayers in the presence of a perpendicular magnetic field. These quantum dots can be created by means of nanostructured gates or by position-dependent doping, which can create a gap in the otherwise gapless dispersion of a graphene bilayer. Numerical results show the energy levels of confined electrons and holes as a function of the dot parameters and the magnetic field. Remarkable crossings of energy levels are found.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 29
DOI: 10.1103/PhysRevB.79.195403
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“Band-gap formation and morphing in alpha-T-3 superlattices”. Cunha SM, de Costa DR, Pereira Jr JM, Costa Filho RN, Van Duppen B, Peeters FM, Physical Review B 104, 115409 (2021). http://doi.org/10.1103/PHYSREVB.104.115409
Abstract: Electrons in alpha-T-3 lattices behave as condensed-matter analogies of integer-spin Dirac fermions. The three atoms making up the unit cell bestow the energy spectrum with an additional energy band that is completely flat, providing unique electronic properties. The interatomic hopping term, alpha, is known to strongly affect the electronic spectrum of the two-dimensional (2D) lattice, allowing it to continuously morph from graphenelike responses to the behavior of fermions in a dice lattice. For pristine lattice structures the energy bands are gapless, but small deviations in the atomic equivalence of the three sublattices will introduce gaps in the spectrum. It is unknown how these affect transport and electronic properties such as the energy spectrum of superlattice minibands. Here we investigate the dependency of these properties on the parameter a accounting for different symmetry-breaking terms, and we show how it affects band-gap formation. Furthermore, we find that superlattices can force band gaps to close and shift in energy. Our results demonstrate that alpha-T-3 superlattices provide a versatile material for 2D band-gap engineering purposes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.104.115409
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“Tunneling properties in α-T₃, lattices : effects of symmetry-breaking terms”. Cunha SM, da Costa DR, Pereira JM Jr, Costa Filho RN, Van Duppen B, Peeters FM, Physical review B 105, 165402 (2022). http://doi.org/10.1103/PHYSREVB.105.165402
Abstract: The alpha-T3 lattice model interpolates a honeycomb (graphene-like) lattice and a T3 (also known as dice) lattice via the parameter alpha. These lattices are made up of three atoms per unit cell. This gives rise to an additional dispersionless flat band touching the conduction and valence bands. Electrons in this model are analogous to Dirac fermions with an enlarged pseudospin, which provides unusual tunneling features like omnidirectional Klein tunneling, also called super-Klein tunneling (SKT). However, it is unknown how small deviations in the equivalence between the atomic sites, i.e., variations in the alpha parameter, and the number of tunnel barriers changes the transmission properties. Moreover, it is interesting to learn how tunneling occurs through regions where the energy spectrum changes from linear with a middle flat band to a hyperbolic dispersion. In this paper we investigate these properties, its dependence on the number of square barriers and the alpha parameter for either gapped and gapless cases. Furthermore, we compare these results to the case where electrons tunnel from a region with linear dispersion to a region with a bandgap. In the latter case, contrary to tunneling through a potential barrier, the SKT is no longer observed. Finally, we find specific cases where transmission is allowed due to a symmetry breaking of sublattice equivalence.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.105.165402
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