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Identifying He- and H-vacancy complexes in 3C-SiC by temperature-dependent positron annihilation lifetime calculations

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成果类型:
期刊论文
作者:
Hongtao Zhang;Qiang Li;Long Yan;Xian Tang;Guo-Dong Cheng
通讯作者:
Xian Tang<&wdkj&>Guo-Dong Cheng
作者机构:
[Hongtao Zhang; Xian Tang] School of Nuclear Science and Technology, University of South China, Hengyang 421001, China
[Qiang Li; Guo-Dong Cheng] School of Computer, University of South China, Hengyang 421001, China
[Long Yan] Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
通讯机构:
[Xian Tang; Guo-Dong Cheng] S
School of Nuclear Science and Technology, University of South China, Hengyang 421001, China<&wdkj&>School of Computer, University of South China, Hengyang 421001, China
语种:
英文
期刊:
Journal of Nuclear Materials
ISSN:
0022-3115
年:
2025
卷:
608
页码:
155725
机构署名:
本校为第一且通讯机构
院系归属:
核科学技术学院
摘要:
The effect of temperatures ranging from 0 K to 1000 K on the positron lifetime of He- or H-vacancy complexes in 3 C -SiC are studied using first-principles calculations. We observed a steady decrease in the formation energy of H-vacancy complexes upon additional H introduction, in contrast to the variation tendency of formation energies seen in He-vacancy complexes. The intrinsic vacancies ( V Si , V C , and V Si + C ) exhibit different decrease in positron lifetime with the addition of He or H atoms, with the effect of He being more pronounced. Moreover, V C and its impurity-vacancy complexes...

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