CALCULATION OF THE PHYSICAL AND ELECTRONIC-PROPERTIES OF RUBIDIUM POLYBENZIDE RB2C24

Authors
GU YM BYLANDER DM KLEINMAN L
Citation
Ym. Gu et al., CALCULATION OF THE PHYSICAL AND ELECTRONIC-PROPERTIES OF RUBIDIUM POLYBENZIDE RB2C24, Physical review. B, Condensed matter, 49(15), 1994, pp. 10613-10617
Citations number
16
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
49
Issue
15
Year of publication
1994
Pages
10613 - 10617
Database
ISI
SICI code
0163-1829(1994)49:15<10613:COTPAE>2.0.ZU;2-O
Abstract
We have calculated the physical and electronic properties of rubidium polybenzide Rb2C24. It is a metal whose five lowest conduction bands h ave their minima at the (1/2 1/2 1/2) corner of the cubic Brillouin zo ne. Its bulk modulus is 5.3% greater than that of polybenzene while it s positive formation enthalpy (with respect to Rb intercalated graphit e) is appreciably smaller than that of polybenzene (with respect to gr aphite).