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We present a theoretical analysis of interface states emerging at junctions between armchair graphene nanoribbons of varying widths. By exploring diverse width combinations and junction geometries, we demonstrate that predicting the precise…

Mesoscale and Nanoscale Physics · Physics 2025-07-21 Sofia Sanz , Daniel Sánchez-Portal

Armchair graphene nanoribbons are a highly promising class of semiconductors for all-carbon nanocircuitry. Here, we present a new perspective on their electronic structure from simple model Hamiltonians and $\textit{ab initio}$…

Mesoscale and Nanoscale Physics · Physics 2023-01-24 Nikita V. Tepliakov , Johannes Lischner , Efthimios Kaxiras , Arash A. Mostofi , Michele Pizzochero

We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 J. Gonzalez , F. Guinea , J. Herrero

Here we present a flexible strategy to realize robust nanomaterials exhibiting valence electronic structures whose fundamental physics is described by the SSH-Hamiltonian. These solid-state materials are realized using atomically precise…

We present some computational simulations of graphene-based nanoribbons with a number of half-twists varying from 0 to 4 and two types of defects obtained by removing a single carbon atom from two different sites. Optimized geometries are…

We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 D. Soriano , F. Muñoz-Rojas , J. Fernández-Rossier , J. J. Palacios

Based on first-principles calculations we predict that periodically repeated junctions of armchair graphene nanoribbons of different widths form superlattice structures. In these superlattice heterostructures the width and the energy gap…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 H. Sevincli , M. Topsakal , S. Ciraci

We study the electronic structure of finite armchair graphene nanoribbons using density-functional theory and the Hubbard model, concentrating on the states localized at the zigzag termini. We show that the energy gaps between end-localized…

Mesoscale and Nanoscale Physics · Physics 2013-08-23 M. Ijäs , M. Ervasti , A. Uppstu , P. Liljeroth , J. van der Lit , I. Swart , A. Harju

Stimulated by recent advances in isolating graphene, we discovered that quantum dot can be trapped in Z-shaped graphene nanoribbon junciton. The topological structure of the junction can confine electronic states completely. By varying…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Z. F. Wang , Huaixiu Zheng , Q. W. Shi , Jie Chen , Qunxiang Li , J. G. Hou

Carbon-based magnetic structures promise significantly longer coherence times than traditional magnetic materials, which is of fundamental importance for spintronic applications. An elegant way of achieving carbon-based magnetic moments is…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 Qiang Sun , Xuelin Yao , Oliver Groning , Kristjan Eimre , Carlo A. Pignedoli , Klaus Müllen , Akimitsu Narita , Roman Fasel , Pascal Ruffieux

The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 C. Motta , D. Sánchez-Portal , M. I. Trioni

Two-dimensional topological insulators with propagating topological edge states are promising for dissipationless transport, while their one-dimensional analogs are capable of hosting localized topological junction states that are mainly…

Graphene nanoribbons (GNRs) based T junctions were designed and studied in this paper. These junctions were made up of shoulders (zigzag GNRs) joined with stems (armchair GNRs). We demonstrated the intrinsic transport properties and…

Materials Science · Physics 2008-01-17 Fangping OuYang , Bing Huang , Zuanyi Li , Xiao jin , Hui Xu

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

Computational Physics · Physics 2021-03-11 Mahnoosh Rostami , Isa Ahmadi , Farhad Khoeini

Graphene nano-ribbons junctions based electronic devices are proposed in this Letter. Non-equilibrium Green function calculations show that nano-ribbon junctions tailored from single layer graphene with different edge shape and width can…

Mesoscale and Nanoscale Physics · Physics 2007-06-13 Zhiping Xu

Finite-length armchair graphene nanoribbons can behave as one dimensional topological materials, that may show edge states in their zigzag-terminated edges, depending on their width and termination. We show here a full solution of…

Mesoscale and Nanoscale Physics · Physics 2023-03-15 A. García-Fuente , D. Carrascal , G. Ross , J. Ferrer

Graphene nanoribbons (GNRs) produced by means of bottom-up chemical self-assembly are considered promising candidates for the next-generation nanoelectronic devices. We address the electronic transport properties of angled two-terminal GNR…

Mesoscale and Nanoscale Physics · Physics 2024-02-28 Kristiāns Čerņevičs , Oleg V. Yazyev

We develop a general theoretical framework based on $Z$-classification to count the number of topological bound states at a junction of chiral-symmetric one-dimensional systems. The formulation applies to general multiway junctions composed…

Mesoscale and Nanoscale Physics · Physics 2020-06-24 Gen Tamaki , Takuto Kawakami , Mikito Koshino

We study the electronic and transport properties of heterostructures formed by armchair graphene nanoribbons with intersections of finite length. We describe the system by a tight-binding model and calculate the density of states and the…

Mesoscale and Nanoscale Physics · Physics 2007-11-19 L. Rosales , P. Orellana , Z. Barticevic , M. Pacheco

We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors…

Mesoscale and Nanoscale Physics · Physics 2013-10-25 Lida Pan , Lizhi Zhang , Boqun Song , Shixuan Du , Hongjun Gao
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