High-energy plasmon spectroscopy of freestanding multilayer graphene

Jovanović, V. Borka; Radović, Ivan; Borka, D.; Mišković, Z. L.

doi:10.1103/physrevb.84.155416

Cited by 61 publications

(60 citation statements)

References 52 publications

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“…11,12 We show that the dispersion curve obtained in the simple one-band 2D electron gas theory lies above the ab initio dispersion curve in the long wavelength limit. Even for more accurate model theoretical calculations, [17][18][19] the agreement with our results is only qualitative.…”

Section: Introductionsupporting

confidence: 45%

“…31. A comparison between the experimental 14 and the theoretical spectrum obtained from expression (19) is shown in Fig. 7.…”

Section: -5mentioning

confidence: 99%

“…The detailed derivation of the loss function (19) from the spatially dependent loss function (15) is presented in Ref. 31.…”

Section: -5mentioning

confidence: 99%

“…10 Such applications require accurate experimental and theoretical investigations of single particle and collective electronic excitations in graphene, but also their interaction with crystal lattice vibrations, light, 8 etc. Even though there have been many experimental [11][12][13][14][15][16] and theoretical 14,[17][18][19][20][21] studies of various electronic excitations in graphene, there is still a need for accurate first principles calculations of these excitations and their mutual interplay.…”

Section: Introductionmentioning

confidence: 99%

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Two-dimensional andπplasmon spectra in pristine and doped graphene

et al. 2013

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The spectra of electronic excitations in graphene are calculated using first principles time-dependent density functional theory formalism, and used to obtain π and π + σ plasmon dispersion curves. The spectra and dispersion are in excellent agreement with recent experimental results, and they are used to investigate the anisotropy and splitting of a π plasmon, which has also been experimentally verified. The high accuracy of this calculation enabled the discovery of some different features in the spectra, especially the M-K anisotropy of the two-dimensional (2D) plasmon dispersion curve, which qualitatively agrees with recent experimental results. Our ab initio 2D plasmon dispersion curves are compared with the ones obtained in some recently proposed 2D models. They show strong disagreement with the dispersion curve obtained using a simple one-band 2D theory, as well as some discrepancies with respect to the commonly used Das Sarma et al.'s dispersion curve, even in the isotropic region. Excellent agreement of the calculated spectrum in pristine graphene with the electron energy loss spectroscopy spectrum measured for lower momentum transfers is demonstrated.

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Section: Introductionsupporting

confidence: 45%

“…31. A comparison between the experimental 14 and the theoretical spectrum obtained from expression (19) is shown in Fig. 7.…”

Section: -5mentioning

confidence: 99%

“…The detailed derivation of the loss function (19) from the spatially dependent loss function (15) is presented in Ref. 31.…”

Section: -5mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Two-dimensional andπplasmon spectra in pristine and doped graphene

et al. 2013

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“…17 Also, in many applications it is very important to understand how an external longitudinal probe, e.g., an external charge distribution, should be designed in order to both efficiently and selectively excite plasmons in graphene. Even though there are many theoretical [22][23][24] and experimental [25][26][27] investigations of plasmonics and single particle excitations in graphene, a proper theoretical description of the plasmon excitation and decay mechanisms is still lacking.…”

Section: Introductionmentioning

confidence: 99%

TDDFT study of time-dependent and static screening in graphene

et al. 2012

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Time-dependent density functional theory (TDDFT) within the random phase approximation (RPA) is used to obtain the time evolution of the induced potential produce by the sudden formation of a C 1s core hole inside a graphene monolayer, and to show how the system reaches the equilibrium potential. The characteristic oscillations in the time-dependent screening potential are related to the excitations of π and σ + π plasmons as well as the low energy 2D plasmons in doped graphene. The equilibrium RPA screened potential is compared with the DFT effective potential, yielding good qualitative agreement. The self energy of a point charge near a graphene monolayer is shown to demonstrate an image potential type behavior, Ze/(z − z 0 ), down to very short distances (4 a.u.) above the graphene layer. Both results are found to agree near quantitatively with the DFT ground state energy shift of a Li + ion placed near a graphene monolayer.

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Model calculations for low‐lossEELspectra of2Dmultilayer systems

Mohn

Hambach

Wachsmuth

et al. 2016

European Microscopy Congress 2016: Proceedings

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Collective electronic excitations (plasmons) in single‐layer and few‐layer graphene have been studied extensively in the past few years. In particular, the dispersion and nature of the π plasmon peak in free‐standing single‐layer graphene was investigated by means of momentum‐resolved electron energy‐loss spectroscopy (MREELS) [1‐3]. Besides, it was also studied how the transition from mono‐ to multilayer graphene changes the shape of EEL spectra. Within a layered electron‐gas (LEG) model, this transition can be modeled very precisely [4,5]. For other 2D materials such as transition metal dichalcogenides (TMDs), however, this approach may be highly inaccurate. We therefore evaluate more precise model calculations for multilayer systems. Our calculations are based on time‐dependent DFT calculations for the individual monolayers. The plane‐wave pseudopotential DFT code abinit [6] is used to simulate the ground state within local density approximation (LDA). The linear response is then calculated within random‐phase approximation (RPA) using the dp‐code [7]. Compared to the LEG model where the monolayers are assumed to be perfectly 2‐dimensional and homogeneous, we preserve the layers' microscopic structure in our calculations. We demonstrate that only by taking the finite thickness of the constituent monolayers into account, the spectra of multilayer MoS 2 can be modeled correctly (see the figure). Our calculations can be also applied to arbitrary van‐der‐Waals heterostructures. Our results are directly compared to MREEL spectra recorded with a Zeiss Libra 200 based TEM prototype (“SALVE I”, [8,2]) equipped with a monochromator and an Ω type in‐column energy filter. This allows for the verification of our calculations over a large range of energy losses (0‐40 eV) and different momentum transfers within the Brillouin zone. [9]

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High-energy plasmon spectroscopy of freestanding multilayer graphene

Cited by 61 publications

References 52 publications

Two-dimensional andπplasmon spectra in pristine and doped graphene

Two-dimensional andπplasmon spectra in pristine and doped graphene

TDDFT study of time-dependent and static screening in graphene

Model calculations for low‐lossEELspectra of2Dmultilayer systems

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