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Nano-carbon materials are investigated intensively. In this paper, the edge-state in nanographene materials with zigzag edges is studied theoretically. In particular, while the inter-layer interactions are considered, we prove that edge…

Materials Science · Physics 2012-06-15 Kikuo Harigaya

The energy spectrum and eigenstates of single-layer black phosphorous nanoribbons in the presence of perpendicular magnetic field and in-plane transverse electric field are investigated by means of a tight-binding method and the effect of…

Mesoscale and Nanoscale Physics · Physics 2017-10-04 Vladimir V. Arsoski , Marko M. Grujic , Nemanja A. Cukaric , Milan Z. Tadic , Francois M. Peeters

We report a thorough study of the reducibility of edge correlation effects in graphene to much-simplified effective models for the edge states. The latter have been used before in specially tailored geometries. By a systematic investigation…

Mesoscale and Nanoscale Physics · Physics 2015-09-23 Cornelie Koop , Manuel J. Schmidt

Band gap control by an external field is useful in various optical, infrared and THz applications. However, widely tunable band gaps are still not practical due to variety of reasons. Using the orthogonal tight-binding method for…

Mesoscale and Nanoscale Physics · Physics 2017-05-03 V. A. Saroka , K. G. Batrakov , V. A. Demin , L. A. Chernozatonskii

It is shown that for monolayer graphene electrons are confined on a perfect two dimensional surface. The implications for the electronic properties of corrugated graphene are discussed in view of a derivation of the constrained relativistic…

Materials Science · Physics 2015-05-18 Victor Atanasov , Avadh Saxena

The edges of graphene and graphene like systems can host localized states with evanescent wave function with properties radically different from those of the Dirac electrons in bulk. This happens in a variety of situations, that are…

Mesoscale and Nanoscale Physics · Physics 2016-09-20 J. L. Lado , N. Garcia-Martinez , J. Fernandez-Rossier

The ability to manufacture tailored graphene nanostructures is a key factor to fully exploit its enormous technological potential. We have investigated nanostructures created in graphene by swift heavy ion induced folding. For our…

It has been known that edge states of a graphite ribbon are zero-energy, localized eigen-states. We show that next nearest-neighbor hopping process decreases the energy of the edge states at zigzag edge with respect to the Fermi energy. The…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 K. Sasaki , S. Murakami , R. Saito

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…

Materials Science · Physics 2015-08-12 Jesper Toft Rasmussen , Tue Gunst , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our…

Materials Science · Physics 2007-11-13 Hao Ren , Qunxiang Li , Haibin Su , Q. W. Shi , Jie Chen , Jinlong Yang

We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Dmitry A. Ryndyk , Jan Bundesmann , Ming-Hao Liu , Klaus Richter

The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…

Mesoscale and Nanoscale Physics · Physics 2010-10-26 D. A. Bahamon , A. L. C. Pereira , P. A. Schulz

Using a simple setup to bend a flexible substrate, we demonstrate deterministic and reproducible in-situ strain tuning of graphene electronic devices. Central to this method is the full hBN encapsulation of graphene, which preserves the…

Using a multi-orbital tight-binding model, we have studied the edge states of zigzag silicene, germanene, and stanene nanoribbons (ZSiNRs, ZGeNRs and ZSnNRs, respectively) in the presence of the Coulomb interaction and a vertical electric…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 Ayami Hattori , Keiji Yada , Masaaki Araidai , Masatoshi Sato , Kenji Shiraishi , Yukio Tanaka

Graphene is the extreme material for molecular sensory and hydrogen storage applications because of its two-dimensional geometry and unique structure-property relationship. In this Letter, hydrogenation of graphene is discussed in the…

Materials Science · Physics 2010-02-10 Zhiping Xu , Kun Xue

Molybdenum disulfide nanoribbons with zigzag edges show ferromagnetic and metallic properties based on previous \emph{ab-initio} calculations. The investigation of the role of disorder on the magnetic properties is, however, still lacking…

Mesoscale and Nanoscale Physics · Physics 2019-09-18 Péter Vancsó , Imre Hagymási , Pauline Castenetto , Philippe Lambin

We unveil the nature of the structural disorder in bottom-up zigzag graphene nanoribbons along with its effect on the magnetism and electronic transport on the basis of scanning probe microscopies and first-principles calculations. We find…

Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J. et al.~\textit{Nature} \textbf{2018}, \textit{560}, 204]). These states may be localized either at the bulk edges, or at the ends of…

Mesoscale and Nanoscale Physics · Physics 2019-12-20 Jan-Philip Joost , Antti-Pekka Jauho , Michael Bonitz

Germanene nanoribbons, with buckled structures, exhibit unique electronic properties. The complicated relations among the quantum confinement, the spin-orbital coupling, the magnetic quantization, the electric-field dominated quantum…

Materials Science · Physics 2016-09-23 M. H. Lee , J. Y. Wu , S. C. Chen , C. W. Chiu , M. F. Lin

The high-order harmonic generation in finite topological nanoribbons is investigated using a tight-binding description. The ribbons consist of hexagons and are almost one-dimensional. Two edge states emerge at the short edges of the ribbon…

Mesoscale and Nanoscale Physics · Physics 2024-03-12 Hannah Jürß , Dieter Bauer
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