Structures and phase transition of GaAs under pressure | |
C. Hong-Ling ; C. Xiang-Rong ; J. Guang-Fu ; W. Dong-Qing | |
刊名 | Chinese Physics Letters
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2008 | |
卷号 | 25期号:6页码:2169-2172 |
关键词 | iii-v electronic-structure gallium-arsenide semiconductors stability alas iv si |
ISSN号 | 0256-307X |
中文摘要 | A first-principles plane wave method with the ultrasoft pseudopotential scheme in the frame of the density functional theory (DFT) is performed to calculate the lattice parameters a and c, the bulk modulus B(0) and its pressure derivative B'(0) of the zinc-blende GaAs (ZB-GaAs), rocksalt GaAs (RS-GaAs), CsCl-GaAs, NiAs-GaAs and wurtzite GaAs (WZ-GaAs). Our results are consistent with the available experimental data and other theoretical results. We also calculate the phase transition pressures among these different phases. The results are satisfactory. |
原文出处 | |
公开日期 | 2012-04-13 |
内容类型 | 期刊论文 |
源URL | [http://210.72.142.130/handle/321006/32805] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 GB/T 7714 | C. Hong-Ling,C. Xiang-Rong,J. Guang-Fu,et al. Structures and phase transition of GaAs under pressure[J]. Chinese Physics Letters,2008,25(6):2169-2172. |
APA | C. Hong-Ling,C. Xiang-Rong,J. Guang-Fu,&W. Dong-Qing.(2008).Structures and phase transition of GaAs under pressure.Chinese Physics Letters,25(6),2169-2172. |
MLA | C. Hong-Ling,et al."Structures and phase transition of GaAs under pressure".Chinese Physics Letters 25.6(2008):2169-2172. |
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