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EPL Association, European Physical Society Letters, 6(90), p. 66006, 2010

DOI: 10.1209/0295-5075/90/66006

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Structural transitions of solid germane under pressure

This paper is available in a repository.
This paper is available in a repository.

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Abstract

We present a structural characterization of solid germane (GeH4) under pressure from first-principles calculations. We find that this material undertakes a structural transformation from its low-pressure P21/c phase to high-pressure Cmmm phase at about 15 GPa where insulator-metal transition occurs, followed by two other metallic phases having the P21/m and C2/c structure at up to 200 GPa. Our results indicate that the metallization of GeH4 can be realized through band overlap within the material itself.