Nature of localized phonon modes of tilt grain boundaries in graphene

Diery, W.A.; Moujaes, Elie A.; Nunes, R. W.

doi:10.1016/j.carbon.2018.08.045

Cited by 19 publications

(13 citation statements)

References 65 publications

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“…For small q, the spectra exhibit a pair of electron-hole symmetric Van Hove singularities peaks close to the charge neutrality point, while at larger q the electron-hole symmetry is broken [8]. Diery et al [9] were able to provide a consistent picture of the experimentally observed trends in Ref. [10,11].…”

Section: Introductionmentioning

confidence: 90%

“…[10,11]. They concluded that tilted GBs introduce non-dispersive high frequency phonon modes in polycrystalline graphene, strongly localized in the core of the GBs, while no such localized modes are found in the case of the translational boundary models [9]. In principle, these transport properties might be artificially tuned via "GB engineering" to develop nanoscale electronic devices in graphene and HOPG [12].…”

Section: Introductionmentioning

confidence: 99%

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Double grain boundary configurations on graphite surfaces

Capasso

Muñoz-Rojas

Gupta

et al. 2020

Carbon

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Section: Introductionmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 99%

Double grain boundary configurations on graphite surfaces

Capasso

Muñoz-Rojas

Gupta

et al. 2020

Carbon

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“…The structural disorder can also affect the PDOS, 52 which exhibits a peak near the energy of the D band. 4,29,51,[53][54][55] The larger the magnitude of PDOS at E D , the greater is the probability for the electron-phonon interaction corresponding to step b-c in Fig.…”

Section: Journal Of Applied Physicsmentioning

confidence: 99%

“…A disorder broadens the peaks in PDOS, as shown for the case of graphene. 52 The broader peaks in PDOS would have a more gradual dependence of PDOS on phonon energy nearer to the top of the broad peak. This dependence will get stronger away from the peak top, at higher values of E D as E L increases.…”

Section: Journal Of Applied Physicsmentioning

confidence: 99%

Aerographite phonon density of states affects double resonant Raman scattering

Zhang

Horvat

Lewis

et al. 2020

Journal of Applied Physics

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Raman spectra of aerographite, graphite oxide, graphite flakes, and kish graphite were investigated with different laser excitation energies (wavelengths, λ L ), namely, 2.81 eV (442 nm), 2.41 eV (514 nm), 2.33 eV (532 nm), and 1.96 eV (633 nm). X-ray diffraction analysis showed that aerographite and graphite oxide are structurally disordered. The Raman spectra of both exhibit typical graphitic features, namely, G, D, D 0 , and 2D bands. The D and 2D bands exhibit a "blue-shift" with laser excitation energies, E L , while the G bands remain invariant. The intensity ratio between the D and G bands (I D /I G ) ranges from 0.70 to 1.25 for aerographite and graphite oxide and from 0.04 to 0.24 for graphite flakes and kish graphite. The dependence of I D /I G on λ L 4 is linear for graphite flakes and kish graphite, while it saturates at the longest λ L for aerographite and graphite oxide. A physical explanation of this unexpected saturation is proposed within the double resonant Raman scattering model, taking into account the disorder-induced changes of the phonon density of states.

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“…The present study is limited to the phonons of free-standing and ideal thin films of elemental metals at zero temperature and pressure. It would be interesting to study how the effects of substrate (or strain) [16], chemical adsorption [22], vacancies [34], grain boundaries [35], and temperature [36] influence the phonon band structure and the dynamical stability of 2D metals. We note that the effect of spin-orbit coupling is important in heavy elements because it strongly influences the dynamical stability of 2D Bi [19] and 2D Po [20] as well as the metastability of FCC Pt in the HCP structure [4].…”

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confidence: 99%

Dynamical stability of two-dimensional metals in the periodic table

Ono

2020

Preprint

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We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled square lattice structures. We show the relationship between the stability of 2D structures and that of three-dimensional structures. This provides a material design concept for alloys, where the similarity with regard to the stable 2D structures, rather than the energetic stability of alloy, is important to yield dynamically stable alloys. FIG. 3: Phonon band structure of Ag in (a) HX, (b) 2HX, and (c) 2SQ structures.

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Nature of localized phonon modes of tilt grain boundaries in graphene

Cited by 19 publications

References 65 publications

Double grain boundary configurations on graphite surfaces

Double grain boundary configurations on graphite surfaces

Aerographite phonon density of states affects double resonant Raman scattering

Dynamical stability of two-dimensional metals in the periodic table

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