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We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM)…

介观与纳米尺度物理 · 物理学 2011-08-09 Bing Huang , Jaejun Yu , Su-Huai Wei

The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of…

介观与纳米尺度物理 · 物理学 2023-07-19 C. Motta , D. Sánchez-Portal , M. I. Trioni

Carbon-based nanostructures and graphene, in particular, evoke a lot of interest as new promising materials for nanoelectronics and spintronics. One of the most important issue in this context is the impact of external electrodes on…

介观与纳米尺度物理 · 物理学 2012-03-16 S. Krompiewski

The geometrical, electronic, and magnetic properties of twisted zigzag-edged graphene nanoribbons (ZGNRs) and novel graphene M\"obius strips (GMS) are systematically investigated using first-principles density functional calculations. The…

材料科学 · 物理学 2016-03-28 Sheng-Ying Yue , Qing-Bo Yan , Zhen-Gang Zhu , Hui-Juan Cui , Qing-Rong Zheng , Gang Su

Kane and Mele predicted that in presence of spin-orbit interaction graphene realizes the quantum spin Hall state. However, exceptionally weak intrinsic spin-orbit splitting in graphene ($\approx 10^{-5}$ eV) inhibits experimental…

介观与纳米尺度物理 · 物理学 2013-06-18 Gabriel Autès , Oleg V. Yazyev

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…

介观与纳米尺度物理 · 物理学 2015-10-22 Zhao-Dong Chu , Lin He

Voltage is a sensitive quantity to quantum interference in coherent electronic transport. We study the voltage fluctuations in disordered graphene nanoribbons with zigzag and armchair edge terminations in a four-terminal configuration. We…

介观与纳米尺度物理 · 物理学 2024-11-15 Pablo Encarnación , Victor A. Gopar

Electronic transport in a zig-zag-edge graphene nanoribbon (GNR) and its modification by adsorbed transition metal porphyrins is studied by means of density functional theory calculations. The detachment reaction of the metal centre of the…

介观与纳米尺度物理 · 物理学 2019-09-27 P. Kratzer , Sherif Abdulkader Tawfik , X. Y. Cui , C. Stampfl

We propose a mechanism to drive singlet-triplet spin transitions electrically, in a wide class of graphene nanostructures that present pairs of in-gap zero modes, localized at opposite sublattices. Examples are rectangular nanographenes…

介观与纳米尺度物理 · 物理学 2018-05-23 R. Ortiz , N. A. García-Martínez , J. L. Lado , J. Fernández-Rossier

We theoretically investigate the one-color injection currents and shift currents in zigzag graphene nanoribbons with applying a static electric field across the ribbon, which breaks the inversion symmetry to generate nonzero second order…

介观与纳米尺度物理 · 物理学 2021-09-08 Yadong Wei , Weiqi Li , Yongyuan Jiang , Jinluo Cheng

We discuss the electronic properties of graphene and graphene nanoribbons including "pseudo-Rashba" spin-orbit coupling. After summarizing the bulk properties, we first analyze the scattering behavior close to an infinite mass and zigzag…

介观与纳米尺度物理 · 物理学 2009-11-03 Tobias Stauber , John Schliemann

Twisted bilayer graphene (tBLG) including interlayer interaction and rotational disorder shows anomalous electron transport as a function of twist-angles (tAs). In this work, we address the electronic properties and electron transport of…

介观与纳米尺度物理 · 物理学 2023-06-13 Farzaneh Shayeganfar , Ali Ramazani , Nicholas X Fang

We study the electronic properties of electrons in flat and curved zigzag graphene ribbons using a tight-binding model within the Slater Koster approximation. We find that curvature dramatically enhances the action of spin orbit effects in…

介观与纳米尺度物理 · 物理学 2015-05-20 D. Gosálbez-Martínez , J. J. Palacios , J. Fernández-Rossier

We performed an investigation concerning bipolaron dynamics in armchair graphene nanoribbons (AGNRs) under the influence of different electric field and electron-phonon coupling regimes. By studying the response to the electric excitation,…

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…

介观与纳米尺度物理 · 物理学 2021-02-11 Michele Pizzochero , Efthimios Kaxiras

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…

材料科学 · 物理学 2009-11-13 Sudipta Dutta , S. Lakshmi , Swapan K. Pati

Graphene nanoribbons' electronic transport properties strongly depend on the type of edge, armchair, zigzag or other, and on edge functionalization that can be used for band-gap engineering. For only partly hydrogenated edges interesting…

介观与纳米尺度物理 · 物理学 2021-11-12 Sebastian Schneider , Regina Hoffmann-Vogel

We report here the charge transport behavior in graphene nanojunctions in which graphene nanodots, with relatively long relaxation time, are interfaced with ferromagnetic electrodes. Subsequently we explore the effect of substitutional…

材料科学 · 物理学 2018-09-12 Subramani Amutha , Arijit Sen

An interesting property of zigzag graphene nanoribbons is the presence of edge states which are extended along its borders but localized in the transverse direction. We show that because of this property, electron transport through an…

介观与纳米尺度物理 · 物理学 2009-09-02 Gonzalo Usaj

We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized with p-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations…

介观与纳米尺度物理 · 物理学 2020-10-01 Kristiāns Čerņevičs , Michele Pizzochero , Oleg V. Yazyev