Calculation of the physical and electronic properties of rubidium polybenzide Rb2C24

Y. M. Gu, D. M. Bylander, and Leonard Kleinman
Phys. Rev. B 49, 10613 – Published 15 April 1994

Abstract

We have calculated the physical and electronic properties of rubidium polybenzide Rb2C24. 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

Authors & Affiliations

Y. M. Gu, D. M. Bylander, and Leonard Kleinman

  • Department of Physics, University of Texas, Austin, Texas 78712

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Vol. 49, Iss. 15 — 15 April 1994

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