Abstract
We have calculated the physical and electronic properties of rubidium polybenzide . It is a metal whose five lowest conduction bands have their minima at the (1/21/21/2) corner of the cubic Brillouin zone. Its bulk modulus is 5.3% greater than that of polybenzene while its positive formation enthalpy (with respect to Rb intercalated graphite) is appreciably smaller than that of polybenzene (with respect to graphite).
- Received 22 November 1993
DOI:https://doi.org/10.1103/PhysRevB.49.10613
©1994 American Physical Society