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Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…

Materials Science · Physics 2009-11-13 L. Pisani , B. Montanari , N. M. Harrison

Ferromagnetism in carbon-based materials is appealing for both applications and fundamental science purposes because carbon is a light and bio-compatible material that contains only s and p electrons in contrast to traditional ferromagnets…

Materials Science · Physics 2009-10-13 J. Cervenka , M. I. Katsnelson , C. F. J. Flipse

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

The flat band of edge states which occur in the simple tight-binding lattice model of graphene with a zig-zag edge have long been conjectured to take up a ferromagnetic configuration. In this work we demonstrate that, for a large class of…

Mesoscale and Nanoscale Physics · Physics 2023-08-02 Gordon W. Semenoff

The electron-phonon matrix element for edge states of carbon nanotubes and graphene at zigzag edges is calculated for obtaining renormalized energy dispersion of the edge states. Self-energy correction by electron-phonon interaction…

Mesoscale and Nanoscale Physics · Physics 2007-06-21 K. Sasaki , K. Sato , J. Jiang , R. Saito , S. Onari , Y. Tanaka

Very recently, it was demonstrated explicitly that a zigzag graphene nanoribbon (GNR) exhibits a crossover of conductance from G0 to G0/2 with increasing the length (G0 = 2e2/h is the quantum of conductance) even at room-temperature…

Mesoscale and Nanoscale Physics · Physics 2015-10-22 Zhao-Dong Chu , Lin He

A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Hamed Karimi , Ian Affleck

We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy in graphene by employing magnetization-constrained density-functional theory on periodic slabs, and spin-exact, multi-reference,…

Materials Science · Physics 2013-11-27 M. Casartelli , S. Casolo , G. F. Tantardini , R. Martinazzo

Spin-hosting graphene nanostructures are promising metal-free systems for elementary quantum spintronic devices. Conventionally, spins are protected from quenching by electronic bandgaps, which also hinder electronic access to their quantum…

Saturation magnetization values close to the bulk have been reported for coated magnetite nanoparticles with organic acids. The mechanism of this effect is not yet understood. Here we show that a previously proposed rationalization in Nano…

Materials Science · Physics 2022-01-05 Enrico Bianchetti , Cristiana Di Valentin

Graphene nanoribbons (GNRs), low-dimensional platforms for carbon-based electronics, show the promising perspective to also incorporate spin polarization in their conjugated electron system. However, magnetism in GNRs is generally…

Electron paramagnetic resonance (EPR) study of air-physisorbed defective carbon nano-onions evidences in favor of microwave assisted formation of weakly-bound paramagnetic complexes comprising negatively-charged O2- ions and edge carbon…

Mesoscale and Nanoscale Physics · Physics 2016-06-10 D. W. Boukhvalov , V. Yu. Osipov , A. I. Shames , K. Takai , T. Hayashi , T. Enoki

Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the single-walled carbon nanotubes. It is found that if the 1D carbon…

Materials Science · Physics 2009-11-13 Xiaoping Yang , Jinming Dong

Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…

Materials Science · Physics 2007-05-23 A. V. Postnikov , Jens Kortus , Stefan Bluegel

The electronic and magnetic properties of zigzag graphene nanoribbons with asymmetric notches along their edges are investigated by first principle density functional theory calculations. It is found that the electronic and magnetic…

Mesoscale and Nanoscale Physics · Physics 2015-08-14 Guang-Yao Song , Qing-Hong Yuan , Wen-Xin Hu , De-Yan Sun

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

Magnetic nanoparticles of gamma-Fe2O3 coated by organic molecules and suspended in liquid and solid matrices, as well as a non-diluted magnetic fluid have been studied by electron magnetic resonance (EMR) at 77-380 K. Slightly asymmetric…

Materials Science · Physics 2009-11-11 N. Noginova , F. Chen , T. Weaver , E. P. Giannelis , A. B. Bourlinos , V. A. Atsarkin

We critically discuss the stability of edge states and edge magnetism in zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge states might not exist in real systems, and show that there are at least three very natural…

Materials Science · Physics 2013-03-06 Jens Kunstmann , Cem Özdoğan , Alexander Quandt , Holger Fehske

We report on a theoretical study of electromagnetic properties of zigzag magnesium oxides nanoribbons (Z-MgONRs). We propose that the polar charges and the spin polarization are the two key factors for edge magnetism. Based on…

Mesoscale and Nanoscale Physics · Physics 2019-05-08 Liang Liu , Xue Ren , Jihao Xie , Bin Cheng , Jifan Hu

The introduction and control of ferromagnetism in graphene opens up a range of new directions for fundamental and applied studies. Several approaches have been pursued so far, such as introduction of defects, functionalization with adatoms,…

Mesoscale and Nanoscale Physics · Physics 2016-11-04 J. C. Leutenantsmeyer , A. A. Kaverzin , M. Wojtaszek , B. J. van Wees
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