EFFECT OF PRESSURE ON THE STRUCTURE AND LATTICE-DYNAMICS OF FULLERENECRYSTAL C-60

Citation
Yi. Prilutski et Gg. Shapovalov, EFFECT OF PRESSURE ON THE STRUCTURE AND LATTICE-DYNAMICS OF FULLERENECRYSTAL C-60, Physica status solidi. b, Basic research, 201(2), 1997, pp. 361-370
Citations number
49
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
03701972
Volume
201
Issue
2
Year of publication
1997
Pages
361 - 370
Database
ISI
SICI code
0370-1972(1997)201:2<361:EOPOTS>2.0.ZU;2-3
Abstract
The low-temperature orientationally ordered crystalline phase of fulle rene C-60 was investigated in dependence on the external pressure. An assumption was made that the energy of the lattice includes two contri butions: a Lennard-Jones (12-6) potential and electrostatic interactio n. The vibrational spectrum of C-60 crystal was calculated using the a tom-atom potential method. The frequencies of intermolecular modes as functions of external pressure were studied. The sound velocities, ela stic constants and bulk modulus are calculated. The dependence of soun d velocities in fullerene crystal C-60 on the external pressure is inv estigated. The results obtained are in good agreement with the availab le experimental data.