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It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons.…

Mesoscale and Nanoscale Physics · Physics 2014-11-18 S. Krompiewski

We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…

Mesoscale and Nanoscale Physics · Physics 2011-06-13 Hélène Feldner , Zi Yang Meng , Thomas C. Lang , Fakher F. Assaad , Stefan Wessel , Andreas Honecker

In the presence of the Hubbard interaction, graphene zigzag nanoribbons have spontaneous edge magnetism with anti-parallel configuration, whose amplitude can be tuned by a transversal electric field. As the electric field increases or…

Mesoscale and Nanoscale Physics · Physics 2021-07-07 Ma Luo

The alkali-adsorbed graphene nanoribbons exhibit the feature-rich electronic and magnetic properties. From the first-principles calculations, there are only few adatom-dominated conduction bands, and the other conduction and valence bands…

Mesoscale and Nanoscale Physics · Physics 2016-09-20 Yu-Tsung Lin , Shih-Yang Lin , Yu-Huang Chiu , Ming-Fa Lin

Density functional calculations of electronic structure, total energy, structural distortions, and magnetism for hydrogenated single-layer, bilayer, and multi-layer graphene are performed. It is found that hydrogen-induced magnetism can…

Materials Science · Physics 2008-01-24 D. W. Boukhvalov , M. I. Katsnelson , A. I. Lichtenstein

Zigzag graphene nanoribbons can have magnetic ground states with ferromagnetic, antiferromagnetic, or canted configurations, depending on carrier density. We show that an electric field directed across the ribbon alters the magnetic state,…

Mesoscale and Nanoscale Physics · Physics 2010-12-21 J. Jung , A. H. Macdonald

We investigate the electromechanical response of doubly clamped graphene nanoribbons to a transverse gate voltage. An analytical model is developed to predict the field-induced deformation of graphene nanoribbons as a function of field…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Zhao Wang , Laetitia Philippe , Jamil Elias

Electrical current can be completely spin polarized in a class of materials known as half-metals, as a result of the coexistence of metallic nature for electrons with one spin orientation and insulating for electrons with the other. Such…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Young-Woo Son , Marvin L. Cohen , Steven G. Louie

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

We have performed a first-principles study on the deformation effect of the electronic structures of graphite nanoribbon arrays with zigzag edges on both sides, and the edge atoms are terminated with hydrogen atoms. A uniaxial strain is…

Materials Science · Physics 2008-10-28 W. S. Su , B. R. Wu , T. C. Leung

The zigzag edge of a graphene nanoribbon possesses a unique electronic state that is near the Fermi level and localized at the edge carbon atoms. We investigate the chemical reactivity of these zigzag edge sites by examining their reaction…

Chemical Physics · Physics 2007-05-23 De-en Jiang , Bobby G. Sumpter , Sheng Dai

Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…

Mesoscale and Nanoscale Physics · Physics 2021-02-11 Michele Pizzochero , Efthimios Kaxiras

It is known that there is a wide class of quasi-two-dimensional graphenelike nanomaterials which in many respects can outperform graphene. So, here in addition to graphene, the attention is directed to stanene (buckled honeycomb structure)…

Mesoscale and Nanoscale Physics · Physics 2019-10-02 S. Krompiewski

Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…

Mesoscale and Nanoscale Physics · Physics 2025-11-05 Wei-Jian Li , Shi-Chang Xiao , Da-Fei Sun , Chang-De Gong , Shun-Li Yu , Yuan Zhou

We conduct a theoretical examination of the electronic and magnetic characteristics of end-modified 7-atom wide armchair graphene nanoribbons (AGNRs). Our investigation is performed within the framework of a single-band Hubbard model,…

Mesoscale and Nanoscale Physics · Physics 2025-03-21 Antoine Honet , Luc Henrard , Vincent Meunier

Each single hydrogen vacancy created at the surface of graphane gives rise to a local unpaired spin. For domains of hydrogen vacancies the situation is, however complex and depends on the size and geometry of domains, as well as whether the…

Materials Science · Physics 2010-05-20 Hasan Sahin , Can Ataca , Salim Ciraci

Predictions state that graphene can spontaneously develop magnetism from the Coulomb repulsion of its $\pi$-electrons, but its experimental verification has been a challenge. Here, we report on the observation and manipulation of individual…

Mesoscale and Nanoscale Physics · Physics 2019-01-15 Jingcheng Li , Sofia Sanz , Martina Corso , Deung Jang Choi , Diego Peña , Thomas Frederiksen , Jose Ignacio Pascual

Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is…

Mesoscale and Nanoscale Physics · Physics 2011-09-13 Oleg V. Yazyev , Rodrigo B. Capaz , Steven G. Louie

Graphene is the first truly two-dimensional (2D) material, possessing a cone-like energy spectrum near the Fermi energy and treated as a gapless semiconductor. Its unique properties trigger researchers to find more applications of it, such…

Mesoscale and Nanoscale Physics · Physics 2022-06-23 Wei-Bang Li , Yu-Ming Wang , Hsien-Ching Chung , Ming-Fa Lin

We discuss several mechanisms of magnetism and band opening in graphene produced by its hydrogenation and fluorination that can be examined experimentally.

Mesoscale and Nanoscale Physics · Physics 2010-05-06 A. M. Panich