The effects of impurities on the generalized stacking fault energy of InP by first-principles calculation

doi:10.1016/j.matlet.2020.129240

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	The effects of impurities on the generalized stacking fault energy of InP by first-principles calculation
	Wang, Chengru 1; Wu, Han2 ; Zhu, Hong 1,4; Sun, Yan-Ting 3; Xie, Chaoying 1
	2021-03-15
发表期刊	MATERIALS LETTERS (IF:2.7[JCR-2023],2.7[5-Year])
ISSN	0167-577X
EISSN	1873-4979
卷号	287 页码:#VALUE!
发表状态	已发表
DOI	10.1016/j.matlet.2020.129240
摘要	This work investigates the impurity effects on the generalized stacking fault energy (GSFE) of InP via first-principles calculations. The impurity elements of group V and VI, which substitute the P sublattice preferentially, are studied here. It is found that the GSFEs of InP will decrease considerably when these impurities are incorporated in the glide plane. The charge density maps indicate that the reduction of GSFEs is predominantly attributed to the electronic effects. These results could contribute to understanding the stacking fault characteristics of III-V compounds incorporated by different impurities. (C) 2020 Elsevier B.V. All rights reserved.
关键词	Indium phosphide Impurity Stacking faults First-principles calculations
收录类别	SCI ; EI ; SCIE
语种	英语
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000615985600022
出版者	ELSEVIER
原始文献类型	Article
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/125737
专题	物质科学与技术学院_公共教学平台_物理基础与专业实验教学中心
通讯作者	Zhu, Hong; Xie, Chaoying
作者单位	1.Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, Shanghai 200240, Peoples R China; 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China; 3.KTH Royal Inst Technol, Sch Engn Sci, Dept Appl Phys, Roslagstullsbacken 21, S-11421 Stockholm, Sweden; 4.Shanghai Jiao Tong Univ, Univ Michigan Shanghai Jiao Tong Univ Joint Inst, Shanghai 200240, Peoples R China
推荐引用方式 GB/T 7714	Wang, Chengru,Wu, Han,Zhu, Hong,et al. The effects of impurities on the generalized stacking fault energy of InP by first-principles calculation[J]. MATERIALS LETTERS,2021,287:#VALUE!.
APA	Wang, Chengru,Wu, Han,Zhu, Hong,Sun, Yan-Ting,&Xie, Chaoying.(2021).The effects of impurities on the generalized stacking fault energy of InP by first-principles calculation.MATERIALS LETTERS,287,#VALUE!.
MLA	Wang, Chengru,et al."The effects of impurities on the generalized stacking fault energy of InP by first-principles calculation".MATERIALS LETTERS 287(2021):#VALUE!.