Journal
EPL
Volume 90, Issue 6, Pages -Publisher
EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY
DOI: 10.1209/0295-5075/90/66006
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Funding
- HKRGC [402108]
- NSFC [10874046]
- U.S. DOE [DE-SC0001057, DE-FG02-02ER45955, DEFC03-03NA00144]
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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 P2(1)/c phase to high-pressure Cmmm phase at about 15GPa where insulator-metal transition occurs, followed by two other metallic phases having the P2(1)/m and C2/c structure at up to 200GPa. Our results indicate that the metallization of GeH4 can be realized through band overlap within the material itself. Copyright (c) EPLA, 2010
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