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Electronic and structural properties of LiBeH3

José Luís Martins
Phys. Rev. B 38, 12776(R) – Published 15 December 1988
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Abstract

In a recent paper, A. W. Overhauser Phys. Rev. B 35, 411 1987 suggested that LiBeH3 could be a metal with a very large electron density, in the range attributed to the metallic phases of hydrogen, and that it could share the properties often envisioned for metallic hydrogen, including high-temperature superconductivity. Band-structure and total-energy calculations for LiBeH3 suggest that it is an ionicly bonded insulator with only half the density assumed by Overhauser. It is therefore a poor candidate for a metal with a large electron density.

  • Received 18 April 1988

DOI:https://doi.org/10.1103/PhysRevB.38.12776

©1988 American Physical Society

Authors & Affiliations

José Luís Martins

  • Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455

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Issue

Vol. 38, Iss. 17 — 15 December 1988

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