The difference of the transport properties of graphene with corrugation structure and with flat structure

Li, G. Q.; Cai, Jihua; Deng, Jin-Pei; Rocha, Alexandre Reily; Sanvito, Stefano

doi:10.1063/1.2910766

Cited by 11 publications

(8 citation statements)

References 21 publications

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“…The Au electrodes are oriented along the ͑111͒ direction with finite cross section. 26 Four layers of each electrode in the contacts are considered as buffer layers. The local geometries of the contacts for the leads are assumed to be cone-like 27 to mimic an scanning tunnel microscope ͑STM͒ tip.…”

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confidence: 99%

Magnetism and spin-polarized transport in carbon atomic wires

Sheng

Ning

et al. 2009

Phys. Rev. B

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We report ab initio calculations of magnetic and spin-polarized quantum transport properties of pure and nitrogen-doped carbon atomic wires. For finite-sized wires with even number of carbon atoms, total magnetic moment of 2 B is found. On the other hand, wires with odd number atoms have no net magnetic moment. Doped with one or two nitrogen atom͑s͒, the carbon atomic wires exhibit a spin-density-wave-like state. The magnetic properties can be rationalized through bonding patterns and unpaired states. When the wire is sandwiched between Au electrodes to form a transport junction, perfect spin filtering effect can be induced by slightly straining the wire.Due to the remarkably long spin coherence time, magnetism, and quantum transport in carbon nanostructures have attracted considerable attention for possible applications in spintronics. 1 Spin polarization in carbon structures may come from proximity to ferromagnetic metal 2,3 or from doped transition metal atoms such as Fe, Cr, or V, Carbon-based systems such as exdohedral or endohedral fullerenes ͓C 60 N ͑Ref. 7͒ and N@C 60 ͑Ref. 8͒, etc.͔ were also found to have local magnetic moments and these fullerene systems are considered useful for quantum information technology. 8 Very interestingly, even pure carbon structure is predicted to have magnetism such as that occurring along the zigzag edges 9,10 of graphene nanoribbons, or near vacancies 11 in graphene. The theoretical prediction and successful experimental fabrication of single-layer graphene 12 have triggered substantial interests in exploiting magnetism in pure carbon systems. Magnetism found in materials containing only s and p electrons, instead of traditionally localized d or f electrons, should be extremely interesting to spintronics.Magnetism occurring in carbon nanostructures is usually rather localized, e.g., magnetic edge states along the boundary of zigzag graphene nanoribbons 9,10 or magnetic moments due to dangling bonds and vacancies. 11 In general, the origin of magnetism in pure carbon nanostructures has not been understood to high satisfaction. In particular, when carbon nanostructures are contacted by nonmagnetic metal electrodes to form a transport device, an important question is how magnetic character of the carbon system is influenced by the electrodes. This issue is of fundamental importance if magnetism in pure carbon nanostructure is to be exploited for spintronics application. It is the purpose of this paper to report our investigation on this issue.To be specific, we focus on magnetism and spin-polarized quantum transport in carbon atomic wires which are important for molecular-scale electronics due to their stable and extremely thin structures. 5,6,13-20 By using chemical techniques, linear carbon atomic wires containing up to 20 atoms has been synthesized experimentally. 21,22 A number of interesting charge transport properties have been predicted for carbon atomic wires sandwiched between two metal leads, including even-odd oscillatory conductance, 13 negative differential resi...

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confidence: 99%

Magnetism and spin-polarized transport in carbon atomic wires

Sheng

Ning

et al. 2009

Phys. Rev. B

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“…It is important to explore the tuning transport properties of the nano devices for the applications of nanoscale devices. The transport properties of many molecules, graphene, nano ribbons, and quantum dot have been investigated through sandwiched type structure [17][18][19]. In this paper, we used NC 3 H quantum dot in which each nitrogen atom is connected to 3 carbon atoms and 1 hydrogen atom, NH 3 and CO 2 molecule adsorbed on its surface, sandwiched between two Au electrodes.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

Tuning properties of NC3H quantum dot by adsorption of ammonia and carbon dioxide

Kalsoom

Wang

2015

Current Applied Physics

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“…The electrode setup and the AuÀS bond length are adapted from scientific literature. 28 The distance between the S atoms along transport direction in both models was kept at 25.64 Å, which is the equilibrium length for S l along its molecular axis. Double-ζ plus polarization (DZP) orbitals were used for the description of the electronic structure of the molecules (i.e., for the molecular constituents, C and H atoms) and the anchoring S atoms, while single-ζ plus polarization (SZP) orbitals were used for metal electrode atoms (Au atoms).…”

Section: Theoretical Model and Calculationsmentioning

confidence: 99%

“…The positions of the metal atoms and the anchoring sulfur atoms shown in Figure were fixed in their initial positions while all the atoms in the molecules were allowed to relax. The electrode setup and the Au–S bond length are adapted from scientific literature . The distance between the S atoms along transport direction in both models was kept at 25.64 Å, which is the equilibrium length for S l along its molecular axis.…”

Section: Theoretical Model and Calculationsmentioning

confidence: 99%