The crystal-field potential of solid C-60 at room temperature

Citation
K. Wulf et al., The crystal-field potential of solid C-60 at room temperature, J PHYS-COND, 11(12), 1999, pp. 2493-2501
Citations number
33
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
11
Issue
12
Year of publication
1999
Pages
2493 - 2501
Database
ISI
SICI code
0953-8984(19990329)11:12<2493:TCPOSC>2.0.ZU;2-Q
Abstract
Bragg intensities from neutron diffraction data for C-60 single crystals we re used to determine the rotational potential V(w) at room temperature. The rotational potential is evaluated in terms of mixed rotator functions M. T he expansion coefficients v(l)(is an element of), i.e. potential parameters , are obtained directly from experiment. The potential exhibits well develo ped minima, absolute ones at the Euler angle set w(1) and relative ones at w(2). They correspond to the two orientations, i.e, pentagonal and hexagona l facing, of the molecules in their low-temperature arrangement. The overal l potential barrier height of the-absolute minimum is 400 K and the differe nce between the two types of minima is 270 K.