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Anharmonicity and local lattice distortion in strained Ge-dilute Si1-xGex alloy
Dong JC(董俊才); Guo ZY(郭志英); Zhang XL(张晓丽); An PF(安鹏飞); Gong Y(宫宇); Zhu HL(朱海亮); Li PS(李鹏善); Chen DL(陈栋梁); Dong; Juncai; Guo; Zhiying; Zhang; Xiaoli; An; Pengfei; Gong; Yu; Zhu; Hailiang; Li; Pengshan; Chen; Dongliang
2015
发表期刊JOURNAL OF ALLOYS AND COMPOUNDS
卷号653页码:117-121
通讯作者陈栋梁
文章类型Article
摘要We have investigated the anharmonicity and local lattice distortion in strained Ge-dilute Si1-xGex alloy using Ge K-edge extended x-ray absorption fine structure measurement coupled with ab initio molecular dynamics simulation. Pronounced asymmetry is for the first time revealed for the Ge-Si first nearestneighbor (NN) distribution even at room temperature, in good agreement with theoretical simulations. In comparison with harmonic approximation, the anharmonicity contributes an additional shift of 0.011 angstrom to the Ge-Si first NN bond distance, which is further found to be crucial to the qualitative change (i.e., contracting or stretching) of the Ge-Si second NN bond distance relative to the corresponding Si-Si bond distance in bulk Si. As the modifications of higher NN shells arise from the competition between the NN bond-distance stretching and the tetrahedral bond-angle deviation, those results indicate that the anharmonicity is critical in the proper determination of the local strain accommodation mode and thus the substrate effect. Farther NN shells exhibit slight asymmetry. Our findings reconcile the long-standing controversy regarding the dominant local strain relaxation mechanism in strained Ge-dilute Si1-xGex alloys. (C) 2015 Elsevier B.V. All rights reserved.
关键词Anharmonicity Local lattice distortion Substrate effect Strain relaxation mechanism Si1-xGex alloy
学科领域Chemistry; Materials Science; Metallurgy & Metallurgical Engineering
DOI10.1016/j.jallcom.2015.08.253
收录类别SCI ; EI ; CA
WOS类目Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号WOS:000363270000016
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被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/228900
专题多学科研究中心
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GB/T 7714
Dong JC,Guo ZY,Zhang XL,et al. Anharmonicity and local lattice distortion in strained Ge-dilute Si1-xGex alloy[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2015,653:117-121.
APA 董俊才.,郭志英.,张晓丽.,安鹏飞.,宫宇.,...&Dongliang.(2015).Anharmonicity and local lattice distortion in strained Ge-dilute Si1-xGex alloy.JOURNAL OF ALLOYS AND COMPOUNDS,653,117-121.
MLA 董俊才,et al."Anharmonicity and local lattice distortion in strained Ge-dilute Si1-xGex alloy".JOURNAL OF ALLOYS AND COMPOUNDS 653(2015):117-121.
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