ELASTIC AND OTHER ASSOCIATED PROPERTIES OF C-60

Citation
R. Venkatesh et Rvg. Rao, ELASTIC AND OTHER ASSOCIATED PROPERTIES OF C-60, Physical review. B, Condensed matter, 55(1), 1997, pp. 15-18
Citations number
21
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
0163-1829
Volume
55
Issue
1
Year of publication
1997
Pages
15 - 18
Database
ISI
SICI code
0163-1829(1997)55:1<15:EAOAPO>2.0.ZU;2-B
Abstract
Considering that Coulomb interactions contribute a negligible amount t o the cohesive energy in C-60, which has an fee structure at room temp erature, we used Girifalco potential function in our calculations; C-6 0 is spherical in nature and rotates rather freely at room temperature . From this potential we evaluated the second-order elastic constants (SOEC's), their pressure derivatives, and the third-order elastic cons tants (TOEC's). The SOEC's are found to be in good agreement with othe r literature values reported so far. The pressure derivative of bulk m odulus is found to be 3.8 which compares favorably with Duclos values while the theoretical literature value is reported to be high. The pre ssure derivatives of the SOEC's are found to be high compared with tho se of glassy, amorphous materials, alloys, and metals. Furthermore, th e derivatives are all found to be positive. The TOEC's are all found t o be negative resembling those of polymers like polystyrene; We evalua ted the thermal Gruneisen's constant from the potential function and t he value obtained is in excellent agreement with experiment.