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Nanomaterials
Volume 16
Issue 3
10.3390/nano16030193
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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation

by
Tian Xing
1,
Shuhuan Liu
1,*,
Qian Wang
2,
Chao Wang
1,
Yuchen Wang
1,
Mathew Adefusika Adekoya
1,
Xuan Wang
1,*,
Xinkun Li
1,
Huawei Sheng
1,
Luyang Cai
1,
Jiatong Tan
1,
Yalei Yi
1 and
Zhongliang Li
3,*
1
School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049, China
2
National Key Laboratory for Metrology and Calibration Techniques, Beijing 102413, China
3
Shaanxi Qinzhou Nuclear and Radiation Safety Technology Co., Ltd., Xi’an 710054, China
*
Authors to whom correspondence should be addressed.
Nanomaterials 2026, 16(3), 193; https://doi.org/10.3390/nano16030193
Submission received: 7 January 2026 / Revised: 27 January 2026 / Accepted: 28 January 2026 / Published: 30 January 2026
(This article belongs to the Section Theory and Simulation of Nanostructures)
Versions Notes

Abstract

Space-borne SiGe-based electronics are confronted with high-energy particles and may suffer from displacement damage effects. Here, primary radiation damage of a strain-engineering-based SiGe/Si heterostructure was investigated by molecular dynamics simulations in two cases of independent and overlapping collision cascades. The results showed that among 1 keV, 3 keV, and 5 keV primary knock-on atoms (PKAs) of Si and Ge, 3 keV Ge PKAs generated the most point defects at the heterointerface, which was associated with adequate PKA energy dissipated around the heterointerface. Meanwhile, the Frenkel pairs at the heterointerface continued increasing merely in the first three cascades and tended to annihilate subsequently, whereas the antisites both in the whole heterostructure and at the heterointerface accrued from the first to the fifth cascades. In addition, the spatial distribution of point defects surviving in each collision cascade was dominated by the melting region, and it could be superimposed on the subsequent ones during the overlapping cascades. Overall, this work explored the evolution of the defect and temperature as well as the overlapping effects during the collision cascades in a strain-engineering-based SiGe/Si heterostructure, which shall shed light on radiation effects of SiGe/Si heterostructures and pertinent radiation-hardening techniques of SiGe-based electronics.
Keywords: molecular dynamics simulation; SiGe/Si heterostructure; collision cascade; overlapping effect; point defect; lattice temperature molecular dynamics simulation; SiGe/Si heterostructure; collision cascade; overlapping effect; point defect; lattice temperature

Share and Cite

MDPI and ACS Style

Xing, T.; Liu, S.; Wang, Q.; Wang, C.; Wang, Y.; Adekoya, M.A.; Wang, X.; Li, X.; Sheng, H.; Cai, L.; et al. Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation. Nanomaterials 2026, 16, 193. https://doi.org/10.3390/nano16030193

AMA Style

Xing T, Liu S, Wang Q, Wang C, Wang Y, Adekoya MA, Wang X, Li X, Sheng H, Cai L, et al. Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation. Nanomaterials. 2026; 16(3):193. https://doi.org/10.3390/nano16030193

Chicago/Turabian Style

Xing, Tian, Shuhuan Liu, Qian Wang, Chao Wang, Yuchen Wang, Mathew Adefusika Adekoya, Xuan Wang, Xinkun Li, Huawei Sheng, Luyang Cai, and et al. 2026. "Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation" Nanomaterials 16, no. 3: 193. https://doi.org/10.3390/nano16030193

APA Style

Xing, T., Liu, S., Wang, Q., Wang, C., Wang, Y., Adekoya, M. A., Wang, X., Li, X., Sheng, H., Cai, L., Tan, J., Yi, Y., & Li, Z. (2026). Primary Radiation Damage in a Strain-Engineering-Based SiGe/Si Heterostructure: A Molecular Dynamics Simulation. Nanomaterials, 16(3), 193. https://doi.org/10.3390/nano16030193

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