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We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 D. Carrascal , V. M. García-Suárez , J. Ferrer

A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of…

Materials Science · Physics 2015-03-17 Minggang Zeng , Lei Shen , Haibin Su , Miao Zhou , Chun Zhang , Yuanping Feng

Spin transport experiments in graphene, a single layer of carbon atoms, indicate spin relaxation times that are significantly shorter than the theoretical predictions. We investigate experimentally whether these short spin relaxation times…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 M. Popinciuc , C. Józsa , P. J. Zomer , N. Tombros , A. Veligura , H. T. Jonkman , B. J. van Wees

We investigate the effects of long-range potential fluctuations and electron-electron interactions on electronic and magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. We show that…

Mesoscale and Nanoscale Physics · Physics 2016-01-19 H. U. Özdemir , A. Altıntaş , A. D. Güçlü

We study the low energy spin excitations of zigzag graphene nanoribbons of varying width. We find their energy dispersion at small wave vector to be dominated by antiferromagnetic correlations between the ribbon's edges, in accrodance with…

Mesoscale and Nanoscale Physics · Physics 2011-03-29 F. Culchac , A. Latge , A. T. Costa

Particular strain geometry in graphene could leads to a uniform pseudo-magnetic field of order 10T and might open up interesting applications in graphene nano-electronics. Through quantum transport calculations of realistic strained…

Mesoscale and Nanoscale Physics · Physics 2015-03-13 Tony Low , F. Guinea

This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…

Chemical Physics · Physics 2017-02-14 Ngoc Thanh Thuy Tran , Shih-Yang Lin , Chiun-Yan Lin , Ming-Fa Lin

We analyse the electrical response of narrow graphene nanogaps in search for transport signatures stemming from spin-polarized edge states. We find that the electrical transport across graphene nanogaps having perfectly defined zigzag edges…

Mesoscale and Nanoscale Physics · Physics 2018-10-05 V. M. Garcia-Suarez , A. Garcia-Fuente , D. Carrascal , E. Burzuri , M. Koole , H. S. J. van der Zant , M. El Abbassi , M. Calame , J. Ferrer

Spin-dependent electronic transport properties of Fe-terminated zig-zag graphene nanoribbons (zGNR) have been studied using first-principles transport simulations. The spin configuration of proposed zGNR junction can be controlled with…

Materials Science · Physics 2011-08-19 Chao Cao , Yan Wang , Hai-Ping Cheng , Jianzhong Jiang

The electronic conductance of graphene-based bilayer flake systems reveal different quantum interference effects, such as Fabry-P\'erot resonances and sharp Fano antiresonances on account of competing electronic paths through the device.…

Mesoscale and Nanoscale Physics · Physics 2017-01-18 D. Zambrano , L. Rosales , A. Latgé , M. Pacheco , P. A. Orellana

Graphene ripples possess peculiar essential properties owing to the strong chemical bonds, as an investigation using first principle calculations clearly revealed. Various charge distributions, bond lengths, energy bands, and densities of…

Materials Science · Physics 2015-01-08 Shih-Yang Lin , Shen-Lin Chang , Feng-Lin Shyu , Jian-Ming Lu , Ming-Fa Lin

The electronic properties of bilayer graphene strongly depend on relative orientation of the two atomic lattices. Whereas Bernal-stacked graphene is most commonly studied, a rotational mismatch between layers opens up a whole new field of…

Mesoscale and Nanoscale Physics · Physics 2014-12-15 Hennrik Schmidt , Johannes C. Rode , Dmitri Smirnov , Rolf J. Haug

Defects change essentially not only electronic but also chemical properties of graphene being centers of its chemical activity. Their functionalization is a way to modify electronic and crystal structure of graphene which may be important…

Materials Science · Physics 2009-01-05 D. W. Boukhvalov , M. I. Katsnelson

Edge states in narrow quasi two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric and magnetic properties. Non-magnetic edge states may quite often lead to topological insulator type behavior. However…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 Stefan Krompiewski , Gianaurelio Cuniberti

The coherent spin-polarized electron transport through a zigzag-edge graphene flake (ZGF), sandwiched between two semi-infinite armchair graphene nanoribbons, is investigated by means of Landauer-Buttiker formalism. To study the edge…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. Saffarzadeh , R. Farghadan

The spin-polarized electronic structure and half-metallicity of zigzag graphene nanoribbons (ZGNRs) with asymmetric edge terminations are investigated by using first principles calculations. It is found that compared with symmetric…

Materials Science · Physics 2010-07-15 Zuanyi Li , Bing Huang , Wenhui Duan

Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through…

Atomic and Molecular Clusters · Physics 2022-11-17 Yan-Dong Guo , Xue Zhao , Hong-Ru Zhao , Li Yang , Li-Yan Lin , Yue Jiang , Dan Ma , Yu-Ting Chen , Xiao-Hong Yan

This review covers recent experimental progress in probing the electronic properties of graphene and how they are influenced by various substrates, by the presence of a magnetic field and by the proximity to a superconductor. The focus is…

Mesoscale and Nanoscale Physics · Physics 2012-04-23 Eva Y. Andrei , Guohong Li , Xu Du

The edges of graphene and graphene like systems can host localized states with evanescent wave function with properties radically different from those of the Dirac electrons in bulk. This happens in a variety of situations, that are…

Mesoscale and Nanoscale Physics · Physics 2016-09-20 J. L. Lado , N. Garcia-Martinez , J. Fernandez-Rossier

We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of…

Mesoscale and Nanoscale Physics · Physics 2013-02-26 Ivan A. Pshenichnyuk , Pedro B. Coto , Susanne Leitherer , Michael Thoss