Three-dimensional electron momentum densities of graphite and fullerene: acomparison

Citation
C. Metz et al., Three-dimensional electron momentum densities of graphite and fullerene: acomparison, J PHYS-COND, 11(19), 1999, pp. 3933-3942
Citations number
36
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
11
Issue
19
Year of publication
1999
Pages
3933 - 3942
Database
ISI
SICI code
0953-8984(19990517)11:19<3933:TEMDOG>2.0.ZU;2-1
Abstract
We report on the three-dimensional electron momentum densities (EMD) of gra phite and fullerene obtained by a so-called (gamma, e gamma) experiment, i. e. the coincident detection of an inelastically scattered hard x-ray photon with its recoil electron. A monochromatized flux of 10(12) photons s(-1) a t 150 keV from the high-energy x-ray wiggler beamline of the ESRF was direc ted onto thin graphite or fullerene targets. Comparison with a pseudopotent ial and a full-potential linear muffin-tin orbital calculation in the case of graphite is made. Inclusion of electron correlation via the Lam-Platzman correction is discussed. The experimental EMD of C-60 shows stronger elect ron delocalization in the 'buckyball' compared to graphite, which is suppor ted by theory.