Structural transitions of solid germane under pressure

被引：22

作者：

Zhang, Chao ^{[1
,2
,3
]}

Chen, Xiao-Jia ^{[4
,5
]}

Li, Yan-Ling ^{[2
,3
]}

Struzhkin, Viktor V. ^{[4
]}

Mao, Ho-Kwang ^{[4
]}

Zhang, Rui-Qin ^{[1
]}

Lin, Hai-Qing ^{[2
,3
]}

机构：

[1] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China

[2] Chinese Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

[3] Chinese Univ Hong Kong, Inst Theoret Phys, Hong Kong, Hong Kong, Peoples R China

[4] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA

[5] S China Univ Technol, Dept Phys, Guangzhou 510640, Guangdong, Peoples R China

来源：

EPL | 2010年 / 90卷 / 06期

关键词：

INDUCED METALLIZATION; HYDROGEN; TEMPERATURE; PHASES; PSEUDOPOTENTIALS; HYDRIDES; SILANE; ENERGY; GEH4;

D O I：

10.1209/0295-5075/90/66006

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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

引用

页数：6

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