Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms

Wang, Zongguo; Qin, Shaojing; Wang, Chui-Lin

doi:10.1140/epjb/e2014-40719-y

Cited by 19 publications

(18 citation statements)

References 34 publications

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“…22,39 Graphene doped with 2.1 at. % of nitrogen was predicted to be nonmagnetic, in accord with DFT calculations by Wang et al, 9 and the narrow electron donor states near E F were absent in the partial density of states (PDOS). At 4.2 at.…”

Section: Results and Discussionsupporting

confidence: 68%

“…If the itinerant electrons occupy narrow bands at the Fermi level, Stoner magnetism can emerge, as recently shown for graphene doped with sulfur. 22 Indeed, it has been theoretically proposed 9 that depending on the concentration and packing geometry of doping nitrogen atoms, it is possible to induce a magnetic response in graphene. However, the physical mechanism governing the emergence of magnetically ordered structures was not discussed.…”

Section: Introductionmentioning

confidence: 99%

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Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene

et al. 2017

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Nitrogen doping opens possibilities for tailoring the electronic properties and band gap of graphene toward its applications, e.g., in spintronics and optoelectronics. One major obstacle is development of magnetically active N-doped graphene with spin-polarized conductive behavior. However, the effect of nitrogen on the magnetic properties of graphene has so far only been addressed theoretically, and triggering of magnetism through N-doping has not yet been proved experimentally, except for systems containing a high amount of oxygen and thus decreased conductivity. Here, we report the first example of ferromagnetic graphene achieved by controlled doping with graphitic, pyridinic, and chemisorbed nitrogen. The magnetic properties were found to depend strongly on both the nitrogen concentration and type of structural N-motifs generated in the host lattice. Graphenes doped below 5 at. % of nitrogen were nonmagnetic; however, once doped at 5.1 at. % of nitrogen, N-doped graphene exhibited transition to a ferromagnetic state at ∼69 K and displayed a saturation magnetization reaching 1.09 emu/g. Theoretical calculations were used to elucidate the effects of individual chemical forms of nitrogen on magnetic properties. Results showed that magnetic effects were triggered by graphitic nitrogen, whereas pyridinic and chemisorbed nitrogen contributed much less to the overall ferromagnetic ground state. Calculations further proved the existence of exchange coupling among the paramagnetic centers mediated by the conduction electrons.

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Section: Results and Discussionsupporting

confidence: 68%

Section: Introductionmentioning

confidence: 99%

Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene

et al. 2017

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“…There have been many reports on band gap engineering of graphene using substitutional doping [15,30,[34][35][36][37][38][39][40][41][42][43][44][45][46][47]. For instance, Wu et al [37] investigated the geometry, electronic structure, and magnetic properties of graphene doped with light non-metallic atoms such as B, N, O, and F. An ab initio study on the band gap opening in graphene by single B-and N-atom doping in 8, 18, 32, and 50 host C atoms has also been reported [42].…”

Section: Introductionmentioning

confidence: 99%

“…The results showed a maximum band gap upon placing the dopants at the same sublattice locations and a minimum band gap upon placing the dopants at alternate sublattice locations of the graphene. Another study presented the electronic and magnetic properties of single-layer graphene doped with N atoms and analyzed the dependence of magnetic moments and band gaps in graphene on N-substitutional doping configurations by considering two N atoms in graphene supercells containing 8, 18, and 32 host C atoms [43].…”

Section: Introductionmentioning

confidence: 99%

Energetic Stabilities, Structural and Electronic Properties of Monolayer Graphene Doped with Boron and Nitrogen Atoms

et al. 2016

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The structural, energetic, and electronic properties of single-layer graphene doped with boron and nitrogen atoms with varying doping concentrations and configurations have been investigated here via first-principles density functional theory calculations. It was found that the band gap increases with an increase in doping concentration, whereas the energetic stability of the doped systems decreases with an increase in doping concentration. It was observed that both the band gaps and the cohesive energies also depend on the atomic configurations considered for the substitutional dopants. Stability was found to be higher in N-doped graphene systems as compared to B-doped graphene systems. The electronic structures of Band N-doped graphene systems were also found to be strongly influenced by the positioning of the dopant atoms in the graphene lattice. The systems with dopant atoms at alternate sublattices have been found to have the lowest cohesive energies and therefore form the most stable structures. These results indicate an ability to adjust the band gap as required using B and N atoms according to the choice of the supercell, i.e., the doping density and substitutional dopant sites, which could be useful in the design of graphene-based electronic and optical devices.

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“…The electronic properties of graphene doped with nitrogen atoms have been analyzed by several groups [16][17][18][19][20][21][22][23]. Substitutional N dopants shift the Fermi level above the Dirac energy, modify the electronic density of states and open a small band gap [16,17,19].…”

Section: Introductionmentioning

confidence: 99%

Scattering of Dirac Electrons by Randomly Distributed Nitrogen Substitutional Impurities in Graphene

2016

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Abstract:The propagation of wave packets in a monolayer graphene containing a random distribution of dopant atoms has been explored. The time-dependent, two-dimensional Weyl-Dirac equation was solved numerically to propagate an initial Gaussian-type wave front and to investigate how the set of impurities influences its motion. It has been observed that the charge transport in doped graphene differs from the pristine case. In particular, nitrogen substitutional doping reduces the charge mobility in graphene due to backscattering effects.

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Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms

Cited by 19 publications

References 34 publications

Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene

Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene

Energetic Stabilities, Structural and Electronic Properties of Monolayer Graphene Doped with Boron and Nitrogen Atoms

Scattering of Dirac Electrons by Randomly Distributed Nitrogen Substitutional Impurities in Graphene

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