Photoabsorption cross section of C60 thin films from the visible to vacuum ultraviolet

Yagi, Hirokazu; Nakajima, K.; Koswattage, Kaveenga Rasika; Nakagawa, Kazumichi; Huang, Chaoqun; Prodhan, Md. Serajul I.; Kaflé, Bhim Prasad; Katayanagi, Hideki; Mitsuke, Koichiro

doi:10.1016/j.carbon.2008.12.053

Cited by 25 publications

(24 citation statements)

References 28 publications

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“…There are 5-6 excitations in the calculated spectrum up to 6 eV, all of which are π − π * character. It has been found that the experimental oscillator strength [27,28] accords well with the theory [26] based on the ab initio adiabatic local density approximation.…”

Section: Application To C 60supporting

confidence: 70%

Magnetic circular dichroism in real-time time-dependent density functional theory

Lee

Yabana

Bertsch

2011

The Journal of Chemical Physics

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We apply the adiabatic time-dependent density functional theory to magnetic circular dichroism (MCD) spectra using the real-space, real-time computational method. The standard formulas for the MCD response and its A and B terms are derived from the observables in the timedependent wave function. We find real time method is well suited for calculating the overall spectrum, particularly at higher excitation energies where individual excited states are numerous and overlapping. The MCD sum rules are derived and intepreted in the real-time formalism; we find that they are very useful for normalization purposes and assessing the accuracy of the theory.The method is applied to MCD spectrum of C 60 using the adiabatic energy functional from the local density approximation. The theory correctly predicts the signs of the A and B terms for the lowest allowed excitations. However, the magnitudes of the terms only show qualitative agreement with experiment.

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Section: Application To C 60supporting

confidence: 70%

Magnetic circular dichroism in real-time time-dependent density functional theory

Lee

Yabana

Bertsch

2011

The Journal of Chemical Physics

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“…The resonance energy is larger than the HOMO-LUMO gap of 2 eV for a molecule of pure C 60 (this transition is dipole forbidden) but corresponds to the energy of the first dipole allowed transition in pure C 60 : the HOMO ! LUMO þ 1 transition [24,25]. This transition is also thought to be responsible of enhancement of other optical nonlinear processes [4].…”

Section: Dr-sfg Set-upmentioning

confidence: 96%

In situ nonlinear optical spectroscopy of electron–phonon couplings at alkali‐doped C₆₀/Ag(111) interfaces

Kakudji¹,

Silien²,

Lis³

et al. 2010

Physica Status Solidi (b)

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We use doubly resonant, infrared-visible sum-frequency generation spectroscopy (DR-SFG) to probe vibrational and electronic properties of C 60 and K-doped C 60 monolayers adsorbed on Ag(111) single crystal under ultra-high vacuum (UHV). We recorded the interface SFG spectra for five visible wavelengths. We observe a strong dependence of the SFG intensity of the totally symmetric A g (2) mode of the fullerene while scanning the visible wavelength, due to the DR-SFG phenomenon. The SFG intensity of the A g (2) mode is the strongest at 488 nm and at 532 nm for the pure and fully doped monolayers, respectively. These results demonstrate the occurrence of electron-phonon couplings at the C 60 /Ag(111) and saturated K/C 60 /Ag(111) interfaces. They enable us to determine the energy of the coupled electronic transition and to link the electronic resonance to the h u (HOMO) to t 1g (LUMO þ 1) transition of C 60 .

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“…We used PAHFIT (Smith et al 2007a) to find that the ratio of C 60 to PAH emission is 0.01-0.03 in NGC 7023 and NGC 2023. We then compare the amount of UV starlight per C atom absorbed by C 60 (Yasumatsu et al 1996;Yagi et al 2009). and PAHs (Li & Draine 2001).…”

Section: Discussionmentioning

confidence: 99%

Confirmation of C₆₀in the Reflection Nebula NGC 7023

Sellgren

Werner

Ingalls

et al. 2011

EAS Publications Series

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Abstract. The fullerene C60 has four infrared active vibrational transitions at 7.0, 8.5, 17.5 and 18.9 μm. We have previously observed emission features at 17.4 and 18.9 μm in the reflection nebula NGC 7023 and demonstrated spatial correlations suggestive of a common origin. We now confirm the identification of these features with C60 by detecting a third emission feature at 7.04 ± 0.05 μm at a position of strong 18.9 μm emission in NGC 7023. We also report the detection of these three features in the reflection nebula NGC 2023. We show with spectroscopic mapping of NGC 7023 that the 18.9 μm feature peaks on the central star, that the 16.4 μm emission feature due to PAHs peaks between the star and a nearby photodissociation front, and that the 17.4 μm feature is a blend of a PAH feature and C60. The derived C60 abundance is consistent with that from previous upper limits and possible fullerene detections in the interstellar medium.

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Photoabsorption cross section of C60 thin films from the visible to vacuum ultraviolet

Cited by 25 publications

References 28 publications

Magnetic circular dichroism in real-time time-dependent density functional theory

Magnetic circular dichroism in real-time time-dependent density functional theory

In situ nonlinear optical spectroscopy of electron–phonon couplings at alkali‐doped C₆₀/Ag(111) interfaces

Confirmation of C₆₀in the Reflection Nebula NGC 7023

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Photoabsorption cross section of C60 thin films from the visible to vacuum ultraviolet

Cited by 25 publications

References 28 publications

Magnetic circular dichroism in real-time time-dependent density functional theory

Magnetic circular dichroism in real-time time-dependent density functional theory

In situ nonlinear optical spectroscopy of electron–phonon couplings at alkali‐doped C60/Ag(111) interfaces

Confirmation of C60in the Reflection Nebula NGC 7023

Contact Info

Product

Resources

About

In situ nonlinear optical spectroscopy of electron–phonon couplings at alkali‐doped C₆₀/Ag(111) interfaces

Confirmation of C₆₀in the Reflection Nebula NGC 7023