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Phys. Rev. B 38, 12776–12779 (1988)

Electronic and structural properties of LiBeH3

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José Luís Martins
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455

Received 18 April 1988; revised 9 September 1988; published in the issue dated 15 December 1988

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.

© 1988 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.38.12776
DOI:
10.1103/PhysRevB.38.12776
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