| Issue |
EPL
Volume 90, Number 6, June 2010
|
|
|---|---|---|
| Article Number | 66006 | |
| Number of page(s) | 6 | |
| Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
| DOI | https://doi.org/10.1209/0295-5075/90/66006 | |
| Published online | 16 July 2010 | |
Structural transitions of solid germane under pressure
1
Department of Physics and Materials Science, City University of Hong Kong - Hong Kong, China
2
Department of Physics and Institute of Theoretical Physics, Chinese University of Hong Kong - Hong Kong, China
3
Geophysical Laboratory, Carnegie Institution of Washington - Washington, DC 20015, USA
4
Department of Physics, South China University of Technology - Guangzhou 510640, China
Received:
13
March
2010
Accepted:
16
June
2010
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.
PACS: 61.50.Ks – Crystallographic aspects of phase transformations; pressure effects / 71.15.Mb – Density functional theory local density approximation, gradient and other corrections / 71.20.-b – Electron density of states and band structure of crystalline solids
© EPLA, 2010
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