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Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Aleksander Bach Lorentzen , Fei Gao , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties…

We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene…

Materials Science · Physics 2009-11-13 Sudipta Dutta , S. Lakshmi , Swapan K. Pati

Grain boundaries (GBs) are ubiquitous in polycrystalline graphene materials obtained by various growth methods. It has been shown previously that considerable electrical transport gap can be opened by grain boundaries. On the other hand,…

Mesoscale and Nanoscale Physics · Physics 2012-08-31 S. Bala Kumar , Jing Guo

We study charge and spin transport along grain boundaries in single layer graphene in the presence of a quantizing magnetic field. Transport states in a grain boundary are produced by hybridization of Landau zero modes with interfacial…

Mesoscale and Nanoscale Physics · Physics 2017-07-12 Madeleine Phillips , E. J. Mele

We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account…

Materials Science · Physics 2022-05-24 S. E. Krasavin , V. A. Osipov

We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 P. Potasz , A. D. Guclu , A. Wojs , P. Hawrylak

The experimental availability of ultra-high-mobility samples of graphene opens the possibility to realize and study experimentally the "hydrodynamic" regime of the electron liquid. In this regime the rate of electron-electron collisions is…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Alessandro Principi , Giovanni Vignale

The $\pi$-electronic structure of graphene in the presence of a modulated electric potential is investigated by the tight-binding model. The low-energy electronic properties are strongly affected by the period and field strength. Such a…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 J. H. Ho , Y. H. Chiu , S. J. Tsai , M. F. Lin

We introduce a model for amorphous grain boundaries in graphene, and find that stable structures can exist along the boundary that are responsible for local density of states enhancements both at zero and finite (~0.5 eV) energies. Such…

Mesoscale and Nanoscale Physics · Physics 2011-08-02 Andrej Mesaros , Stefanos Papanikolaou , C. F. J. Flipse , Darius Sadri , Jan Zaanen

We perform a MonteCarlo simulation in order to study the connection between the morphology and the transport properties of grain boundaries (GBs) in graphene. We explore the configurational space of GBs to generate ensembles of realistic…

Mesoscale and Nanoscale Physics · Physics 2021-07-15 Fernando Gargiulo

This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The results indicate that the modified BBC potential decays in…

Mesoscale and Nanoscale Physics · Physics 2026-02-12 Yaorui Tan , Xiang Chen , Yunhu Zhu , Xiaowu Yang , Zhongkai Huang , Chuang Yao , Maolin Bo

We theoretically analyze the possibility to confine electrons in single-layer graphene with the help of metallic gates, via the evaluation of the density of states of such a gate-defined quantum dot in the presence of a ring-shaped metallic…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Martin Schneider , Piet W. Brouwer

In this study, sub-angstrom spatial resolution is achieved in mapping and spectroscopy of atoms and bonds within polygonal grain boundaries (GBs) of graphite using Scanning Tunneling Microscopy (STM). Robust van Hove singularities (VHS) are…

Mesoscale and Nanoscale Physics · Physics 2023-11-29 Nirjhar Sarkar , Prabhakar R. Bandaru , Robert C. Dynes

The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which can be treated as new carbon allotropes. We studied the…

Materials Science · Physics 2018-01-17 Jun Ma , Xiaying Li , Longjing Yin , Wenxiao Wang , Qi Sun , Yu Yang , Ping Zhang , Jiacai Nie , Changmin Xiong , Ruifen Dou

Ab initio calculations indicate that while the electronic states introduced by grain boundaries in graphene are only partially confined to the defect core, a domain boundary introduces states near the Fermi level that are very strongly…

Mesoscale and Nanoscale Physics · Physics 2011-10-03 Simone S. Alexandre , A. D. Lucio , A. H. Castro Neto , R. W. Nunes

We study the effect of electron-electron interaction and spin on electronic and transport properties of gated graphene nanoribbons (GNRs) in a perpendicular magnetic field in the regime of the lowest Landau level (LL). The electron-electron…

Mesoscale and Nanoscale Physics · Physics 2014-02-12 A. A. Shylau , I. V. Zozoulenko

This work investigates how grain boundaries (GBs) modify magnetic exchange interactions in bcc iron, with particular focus on the effect of phosphorus segregation. Using density-functional theory combined with the…

Materials Science · Physics 2026-04-14 Martin Zelený , Martin Heczko , Petr Šesták , Denis Ledue , Renaud Patte , Miroslav Černý

The problem of electrostatic screening of a charged line by undoped or weakly doped graphene is treated beyond the linear-response theory. The induced electron density is found to be approximately doping independent, n(x)~(log x)^2/x^2, at…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Bor-Yuan Jiang , Michael M. Fogler

Graphene grain boundaries have attracted interest for their ability to host nearly dispersionless electronic bands and magnetic instabilities. Here, we employ quantum transport and universal conductance fluctuations (UCF) measurements to…

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