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Investigation of Electronic Density in C_{60} by Compton Scattering

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Bellin C., Marangolo M., Moscovici J., Loupias G., Rabii S., Erwin S.

Acta Physica Polonica A

1997

vol. 91

issue 4

681-687

High-resolution measurements of Compton profiles on C_{60} as well as K_{x} C_{60} have been carried out using 16 keV photons at LURE (Orsay, France) and at ESRF (Grenoble, France). Theoretical profiles are obtained using the plane wave expansion of wave functions from an ab-initio self-consistent field calculation of the energy band-structure. The linear combination of atomic orbitals method within the local-density-approximation has been employed for the calculation. In all cases, the agreement between theory and experiment is excellent. The C_{60} profiles indicate substantially greater delocalization of the ground-state charge density, compared to graphite. We have demonstrated, both by experiment and calculation, that the delocalization in C_{60} is mainly a molecular effect.

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1 Acta Physica Polonica A

1 1997

1 Bellin C.

1 Erwin S.

1 Loupias G.

1 Marangolo M.

1 Moscovici J.

1 Rabii S.

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Investigation of Electronic Density in C_{60} by Compton Scattering