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The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non…

Mesoscale and Nanoscale Physics · Physics 2008-07-11 M. W. C. Dharma-wardana , Marek Z. Zgierski

Void-defect is a possible origin of ferromagnetic feature on pure carbon materials. In our previous paper, void-defect on graphene-nanoribbon show highly polarized spin configuration. In this paper, we studied cases for graphene molecules…

Astrophysics of Galaxies · Physics 2021-07-06 Norio Ota , Aigen Li , Laszlo Nemes , Masaaki Otsuka

Properties in magnetic ordered states of graphene nanoribbons with zigzag shaped edges are investigated by applying mean-field approximation to the Hubbard model with on-site repulsion $U$. We observe that magnetic moments and critical…

Mesoscale and Nanoscale Physics · Physics 2010-03-03 Karin Furukawa , Hideo Yoshioka , Yoneko Mochizuki

Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its electronic, mechanical, and chemical properties. Experimental techniques allow the manipulation of pristine graphene and the controlled production of…

Materials Science · Physics 2025-09-09 Fabian L. Thiemann , Patrick Rowe , Andrea Zen , Erich A. Müller , Angelos Michaelides

The chapter combines analytical (statistical-thermodynamic and kinetic) with numerical (Kubo-Greenwood-formalism-based) approaches used to ascertain an influence of the configurations of point (impurities, vacancies) and line (grain…

Mesoscale and Nanoscale Physics · Physics 2014-06-04 T. M. Radchenko , V. A. Tatarenko , I. Yu. Sagalianov , Yu. I. Prylutskyy

We report an element-specific investigation of electronic and magnetic properties of the graphene/Ni(111) system. Using magnetic circular dichroism, the occurrence of an induced magnetic moment of the carbon atoms in the graphene layer…

Materials Science · Physics 2015-05-13 M. Weser , Y. Rehder , Yu. S. Dedkov , K. Horn , M. Sicot , M. Fonin , A. Preobtajenski , E. N. Voloshina

Mechanically exfoliated graphene layers deposited on SiO2 substrate were irradiated with Ar+ ions in order to experimentally study the effect of atomic scale defects and disorder on the low-energy electronic structure of graphene. The…

Mesoscale and Nanoscale Physics · Physics 2009-01-21 Levente Tapaszto , Gergely Dobrik , Peter Nemes-Incze , Gabor Vertesy , Philippe Lambin , Laszlo P Biro

Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…

Materials Science · Physics 2013-05-22 Ivan I. Naumov , R. E. Cohen , Russell J. Hemley

Twisted graphene bilayers develop highly localised states around AA-stacked regions for small twist angles. We show that interaction effects may induce either an antiferromagnetic (AF) and a ferromagnetic (F) polarization of said regions,…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 Luis A. Gonzalez-Arraga , J. L. Lado , Francisco Guinea , Pablo San-Jose

Superconductivity in single-layer graphene has attracted considerable interest. Here, using the determinant quantum Monte Carlo method, we study transitions of superconductivity and magnetism in a monolayer graphene with a special periodic…

Strongly Correlated Electrons · Physics 2024-12-31 Jingyao Meng , Runyu Ma , Tianxing Ma , Hai-Qing Lin

Electron supercollimation, in which a wavepacket is guided to move undistorted along a selected direction, is a highly desirable property that has yet been realized experimentally. Disorder in general is expected to inhibit…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 SangKook Choi , Cheol-Hwan Park , Steven G. Louie

Magnetic properties of a single vacancy in graphene is a relevant and still unsolved problem. The experimental results point to a clearly detectable magnetic defect state at the Fermi energy, while several calculations based on density…

Mesoscale and Nanoscale Physics · Physics 2017-10-11 A. M. Valencia , M. J. Caldas

We investigate the magnetism in graphite by controlled oxidation. Our approach renders graphite an insulator while maintaining its structure. Fourier transform infrared spectroscopy and X-ray absorption near edge structure spectra reveal…

Strongly Correlated Electrons · Physics 2011-02-24 D. W. Lee , J. M. Cole , J. W. Seo , S. S. Saxena , C. H. W. Barnes , E. E. M. Chia , C. Panagopoulos

Optical properties of graphene are explored by using the generalized tight-binding model. The main features of spectral structures, the form, frequency, number and intensity, are greatly enriched by the complex relationship among the…

Computational Physics · Physics 2016-07-20 Chiun-Yan Lin , Thi-Nga Do , Yao-Kung Huang , Ming-Fa Lin

We study interaction-mediated magnetism on the surface of ABC-multilayer graphene driven by its zero-energy topological flat bands. Using the random-phase approximation we treat onsite Hubbard repulsion and find multiple competing magnetic…

Mesoscale and Nanoscale Physics · Physics 2024-12-10 Lauro B. Braz , Tanay Nag , Annica M. Black-Schaffer

It is difficult to completely eliminate disorder during the fabrication of graphene-based nanodevices. From a simulation perspective, it is straightforward to determine the electronic transport properties of disordered devices if complete…

Mesoscale and Nanoscale Physics · Physics 2025-03-17 Shardul Mukim , Meric E. Kucukbas , Stephen R. Power , Mauro S. Ferreira

The electronic transport properties of single layer graphene having a dilute coating of indium adatoms has been investigated. Our studies establish that isolated indium atoms donate electrons to graphene and become a source of charged…

Mesoscale and Nanoscale Physics · Physics 2019-12-11 U. Chandni , Erik A. Henriksen , J. P. Eisenstein

The pristine graphene is strongly diamagnetic. However, graphene with single carbon atom defects could exhibit paramagnetism with local magnetic moments ~ 1.5 per vacancy1-6. Theoretically, both the electrons and electrons of graphene…

Materials Science · Physics 2017-02-13 Yu Zhang , Si-Yu Li , Wen-Tian Li , Jia-Bin Qiao , Wen-Xiao Wang , Long-Jin Yin , Lin He

Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…

Mesoscale and Nanoscale Physics · Physics 2010-08-31 Gabriela Murguia

The present work discusses theoretical models which address the effects of electron--electron interactions and disorder in graphene planes. The starting point for the study is a simple tight-binding model for the electronic structure…

Strongly Correlated Electrons · Physics 2007-05-23 Francisco Guinea , M. Pilar Lopez-Sancho , Maria A. H. Vozmediano
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