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

• Authors: Ch. Bellin , M. Marangolo , J. Moscovici , G. Loupias , S. Rabii , S. Erwin
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

78.70.Ck; 61.46.+w; 71.90.+q

• Journal: Acta Physica Polonica A
• Year: 1997
• Volume: 91
• Issue: 4
• Pages: 681-687

Dates

published

1997-04

Contributors

author

Ch. Bellin

• LMCP, Université Paris VI, case 115, 4 place Jussieu, 75252 Paris Cedex 05

author

M. Marangolo

• LMCP, Université Paris VI, case 115, 4 place Jussieu, 75252 Paris Cedex 05

author

J. Moscovici

• LPMD, Université Paris XII, 61 av. Gl de Gaulle, 94010 Créteil Cedex

author

G. Loupias

• LURE, bât. 209, Université Paris-Sud, 91405 Orsay Cedex, France

author

S. Rabii

• Dpt. Electrical Engineering, Univ. of Pennsylvania, Philadelphia, PA 19104-6390, USA

author

S. Erwin

• Complex Systems Theory Branch, Naval Research Lab., Washington, DC 20375, USA