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We theoretically investigate phosphorene zigzag nanorribons as a platform for constriction engineering. In the presence of a constriction at the upper edge, quantum confinement of edge protected states reveals resonant tunnelling…

Mesoscale and Nanoscale Physics · Physics 2016-12-14 C. J. Páez , D. A. Bahamon , Ana L. C. Pereira , P. A. Schulz

We present an ab initio study of the structural, electronic, and quantum transport properties of B-N-complex edge-doped graphene nanoribbons (GNRs). We find that the B-N edge codop-ing is energetically a very favorable process and…

Mesoscale and Nanoscale Physics · Physics 2015-03-10 Seong Sik Kim , Han Seul Kim , Hyo Seok Kim , Yong-Hoon Kim

Two-dimensional (2D) materials as electrodes is believed to be the trend for future Li-ion and Na-ion batteries technologies. Here, by using first-principles methods, we predict that the recently reported borophene (2D born sheet) can serve…

Mesoscale and Nanoscale Physics · Physics 2016-10-19 Xiaoming Zhang , Junping Hu , Yingchun Cheng , Hui Ying Yang , Yugui Yao , Shengyuan A. Yang

A rope of carbon nanotubes is constituted of an array of parallel single wall nanotubes with nearly identical diameters. In most cases the individual nanotubes within a rope have different helicities and 1/3 of them are metallic. In the…

Mesoscale and Nanoscale Physics · Physics 2008-02-19 M. Ferrier , A. Chepelianskii , S. Guéron , H. Bouchiat

Towards spin selective electronics made of three coordinated carbon atoms, here we computationally propose robust and reversibly bias driven evolution of pristine undoped graphene nano-ribbons(GNR) into ferromagnetic-semiconductor, metal or…

Mesoscale and Nanoscale Physics · Physics 2017-08-08 Rita Maji , Joydeep Bhattacharjee

Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contact is investigated by transfer matrix combined with Landauer's formula. Metal-insulator transition is induced by disorder in…

Disordered Systems and Neural Networks · Physics 2015-06-03 G. P. Zhang , M. Gao , Y. Y. Zhang , N. Liu , Z. J. Qin , M. H. Shangguan

Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…

Materials Science · Physics 2021-07-06 Norio Ota , Laszlo Nemes

Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these…

We theoretically investigate negative differential resistance (NDR) for ballistic transport in semiconducting armchair graphene nanoribbon (aGNR) superlattices (5 to 20 barriers) at low bias voltages V_SD < 500 mV. We combine the graphene…

Mesoscale and Nanoscale Physics · Physics 2011-11-11 Gerson J. Ferreira , Michael N. Leuenberger , Daniel Loss , J. Carlos Egues

Long, stable and free-standing linear atomic carbon wires have been carved out from graphene recently [Meyer et al: Nature (London) 2008, 454, 319; Jin et al: Phys: Rev: Lett: 2009, 102, 205501]. They can be considered as the extremely…

Atomic and Molecular Clusters · Physics 2010-10-28 L. Shen , M. G. Zeng , S. W. Yang , C. Zhang , X. F. Wang , Y. P. Feng

Spin defects in semiconductors are widely investigated for various applications in quantum sensing. Conventional host materials such as diamond and hexagonal boron nitride (hBN) provide bulk or low-dimensional platforms for optically…

Bottom-up on-surface synthesized nanoporous graphenes (NPGs), realized as 2D arrays of laterally covalently bonded $\pi$-conjugated graphene nanoribbons (GNRs), are a family of carbon nanomaterials that are receiving increasing attention…

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…

Resonant tunneling transport in polar heterostructures is intimately connected to the polarization fields emerging from the geometric Berry-phase. In these structures, quantum confinement results not only in a discrete electronic spectrum,…

Mesoscale and Nanoscale Physics · Physics 2023-03-16 Jimy Encomendero , Vladimir Protasenko , Debdeep Jena , Huili Grace Xing

Recent experiments on resonant tunneling structures comprising (Ga,Mn)As quantum wells [Ohya et al., Nature Physics 7, 342 (2011)] have evoked a strong debate regarding their interpretation as resonant tunneling features and the near…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 C. Ertler , W. Pötz

Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…

Mesoscale and Nanoscale Physics · Physics 2016-10-12 Bao-Ji Wang , Xiao-Hua Li , Li-Wei Zhang , Guo-Dong Wang , San-Huang Ke

Phonon-assisted electronic tunnelings through a vibrating quantum dot embedded between normal and superconducting leads are studied in the Kondo regime. In such a hybrid device, with the bias applied to the normal lead, we find a series of…

Strongly Correlated Electrons · Physics 2017-04-05 Zhan Cao , Tie-Feng Fang , Qing-Feng Sun , Hong-Gang Luo

We report the electronic properties of two-dimensional systems made of graphene nanoribbons which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of the impurities, we…

Mesoscale and Nanoscale Physics · Physics 2015-09-25 J. W. González , L. Rosales , M. Pacheco , A. Ayuela

Connections between the electron eigenstates and conductivity of one-dimensional disordered electron systems is studied in the framework of the tight-binding model. We show that for weak disorder only part of the states exhibit resonant…

Mesoscale and Nanoscale Physics · Physics 2016-07-27 A. Eisenbach , Y. Bliokh , V. Freilkher , M. Kaveh , R. Berkovits

We study the transport of charge carriers through finite graphene structures. The use of numerical exact kernel polynomial and Green function techniques allows us to treat actual sized samples beyond the Dirac-cone approximation.…

Mesoscale and Nanoscale Physics · Physics 2013-11-13 A. Pieper , G. Schubert , G. Wellein , H. Fehske