Quasi-one-dimensional electronic structure in orthorhombic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">RbC</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Chauvet, O.; Oszlányi, G.; Forró, Lászlø; Stephens, Peter W.; Tegze, M.; Faigel, G.; Jànossy, A.

doi:10.1103/physrevlett.72.2721

Cited by 333 publications

(192 citation statements)

References 14 publications

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“…For the measurements, two different sets of energy and momentum solutions were chosen: 115 meV and 0.05 Å -1 for the loss function in the low energy region, 160 meV and 0.1 Å -1 for the C 1s core level excitation measurements. Electron diffraction studies both in situ and and in a transmission electron microscope gave diffraction patterns for o-Rb 1 C 60 and (C 59 N) 2 consistent with the reported orthorhombic [4] and monoclinic [18] structures, respectively. Fig.…”

Section: Methodssupporting

confidence: 51%

“…For the KKA the loss function was normalised using the oscillator strength sum rule: 303 where E denotes the energy and m e the mass of the electron, respectively. The number of valence electrons per Rb 1 C 60 unit is N = 248 (60 × 4 from carbon, 9 from Rb, one electron was subtracted to take into account the Drude contribution at low energy, which is not reachable in our measurements) and the volume of the primitive unit cell is V = 656.75 Å 3 , as calculated from the measured lattice parameters [4].…”

Section: Resultsmentioning

confidence: 99%

“…The stable phase A 1 C 60 was first observed at elevated temperatures using Raman spectroscopy in the case of K 1 C 60 [2]. This x = 1 phase was found to crystallize at elevated temperature in an fcc lattice [3] and upon cooling to undergo either a first order phase transition into an orthorhombic o-A 1 C 60 phase for (A=Rb, Cs) [4], or to phase separate into pristine C 60 and K 3 C 60 , as has been verified by photoemission (PES) [5], Raman and infrared (IR) spectroscopy [2,6]. In addition, a metastable orthorhombic room temperature phase of K 1 C 60 was observed at high cooling rates [7].…”

mentioning

confidence: 99%

“…The polymer has orthorhombic crystal structure with point symmetry D 2h [13]. A 1 C 60 phases present the only air-stable alkali metal inlercalated compound [9] and in the case of K 1 C 60 show a quasi-one-dimensional metallic behaviour [4,10]. The electronic structure of the o-Rb 1 C 60 phase has been analysed using PES [5,11], electron energy-loss spectroscopy in reflection (HREELS) [11] and by studies of the C1s excitation edges in an electron microscope [12].…”

mentioning

confidence: 99%

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The electronic structure of polymerized fullerenes and dimerized heterofullerenes

Pichler

Knupfer²,

Golden³

et al. 1997

Applied Physics A: Materials Science & Processing

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The electronic structure of polymerized fullerenes and dimerized heterofullerenes Pichler, T.; Knupfer, M.; Golden, M.S.; Fink, J.; Winter, J; Haluska, M.; Kuzmany, H.; Keshavarz, K.; Bellavia-Lund, C.; Sastre, A. Take-down policy If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim.Downloaded from the University of Groningen/UMCG research database (Pure): http://www.rug.nl/research/portal. For technical reasons the number of authors shown on this cover page is limited to 10 maximum. Abstract. We present studies of the electronic structure of polymerized orthorhombic Rb 1 C 60 and dimerised C 59 N using electron energy-loss spectroscopy in transmission. From the C1s excitation spectra a reduced density of π* states is observed for polymerized Rb 1 C 60 . This is in contrast to (C 59 N) 2 and can be explained by the different type of 'doping' and by the different bonding between the fullerene molecules in the two systems. Additional information about the optical properties was obtained from the low energy loss function. Using a Kramers-Kronig analysis, the dielectric function, (ε), and the optical conductivity, (σ), have been derived. ε(0) and the onset of the spectral weight have been compared between the polymer, the dimer and C 60 . This onset of spectral weight is found to be at 1.2 and 1.4 eV for o-Rb 1 C 60 and for (C 59 N) 2 , respectively.

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Section: Methodssupporting

confidence: 51%

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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The electronic structure of polymerized fullerenes and dimerized heterofullerenes

Pichler

Knupfer²,

Golden³

et al. 1997

Applied Physics A: Materials Science & Processing

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“…[7][8][9] The results indicate that the polymerization of C 60 takes place inside the nanotubes. It is well known that high pressure treatment under elevated temperature [31][32][33] and photoirradiation 34,35 for the solid C 60 results in the formation of polymeric phases of C 60 . Here, we have explored how nanotubes affect the energetics of C 60 polymerization.…”

Section: Dimerization Of C 60mentioning

confidence: 99%

Energetics of carbon peapods: Elliptical deformation of nanotubes and aggregation of encapsulatedC60

Okada

2008

Phys. Rev. B

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The energetics of large diameter carbon nanotubes encapsulating C 60 molecules ͑peapods͒ have been studied by using the local density approximation in the density-functional theory ͑DFT͒. We find that the energy gain ascribed to the encapsulation of C 60 increases under the elliptical deformation of the nanotubes compared to that for the nanotubes with circular cross section. The energy cost of the deformation of nanotubes is found to be less than 10 meV per atom and is found to be the largest for the ͑20,20͒ nanotube. We also explore the energetics of the aggregation of encapsulated C 60 in the nanometer-scale space of the ͑10,10͒ nanotube. The total energy of the dimerized C 60 encapsulated in the ͑10,10͒ nanotube is lower by 0.2 eV per atom than that of the isolated C 60 indicating that the dimerization reaction is exothermic. The activation barrier for the dimerization of C 60 is about 1.4 eV, so that the spontaneous dimerization of C 60 is unlikely to take place without any external stimuli such as electron irradiation.

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Charge vs. spin density waves in the fullerene polymer

Śurján¹

1997

Int. J. Quant. Chem.

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Using an effective model Hamiltonian, we performed bond-length-optimized RHF and UHF band structure calculations to describe the electronic structure of the fullerene Ž . polymer C . For the doped system, the RHF calculations predict a gap on the 100 60 x meV scale, in good agreement with experimental data, and show a special kind of charge-density-wave solution. At certain geometries, when the intercage conjugation is hindered, the RHF calculations are triplet instable: A carefully chosen initial guess to UHF leads to a small-amplitude spin-density-wave solution.

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Quasi-one-dimensional electronic structure in orthorhombicRbC60

Cited by 333 publications

References 14 publications

The electronic structure of polymerized fullerenes and dimerized heterofullerenes

The electronic structure of polymerized fullerenes and dimerized heterofullerenes

Energetics of carbon peapods: Elliptical deformation of nanotubes and aggregation of encapsulatedC60

Charge vs. spin density waves in the fullerene polymer

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