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Author:

Tian, Shang (Tian, Shang.) | He, Chaohui (He, Chaohui.) | He, Huan (He, Huan.) | Liao, Wenlong (Liao, Wenlong.) | Bai, Yurong (Bai, Yurong.) | Li, Yonghong (Li, Yonghong.)

Indexed by:

EI SCIE Scopus Engineering Village

Abstract:

Displacement damage induced by space radiation is still a considerable challenge of expanding application of GaAs-based devices (e.g. solar cell, et al.) in space missions. In the current work, molecular dynamics (MD) simulations are applied to investigate displacement cascades evolution in GaAs at room temperature. A set of displacement events initiated by different energies (up to 50 keV) of primary knock-on atom (PKA) were simulated. An improved Wigner-Seitz (W-S) cell method was developed by introducing a simple criterion for more accurate identification of interstitials and antisites. Based on the present defect analysis method, the generation, evolution and distribution of point defects were discussed at first. Then, the mechanisms of both vacancy and interstitial cluster evolutions along simulation time were presented. The results indicate that both Ga and As type defects play the same crucial role among interstitials, antisites and vacancies. As the energy of PKA increases, the start points of heat spike phase postpone slightly. Moreover, the non-linear increase of surviving defects accompanied with the rise of the energy of PKA is considered as contribution of directly amorphous pockets. During the stage of cascade, as time progresses, different size clusters show up in succession from small size (i.e., between 2 and 5) to larger size. The medium and large vacancy clusters virtually only exist in the middle of cascades, and the majority of vacancies belong to the categorizes of single vacancy and small clusters, especially at the end of cascades. However, the medium and large interstitial clusters incline to hold up or grow continually at the MD time scale once they build up. Meanwhile, interstitials in larger clusters (30 ∼ ) account for more fraction as the energy of particles increases. © 2021 Elsevier B.V.

Keyword:

Gallium arsenide III-V semiconductors Molecular dynamics Particle size analysis Point defects Semiconducting gallium

Author Community:

  • [ 1 ] [Tian, Shang]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China
  • [ 2 ] [He, Chaohui]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China
  • [ 3 ] [He, Huan]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China
  • [ 4 ] [Liao, Wenlong]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China
  • [ 5 ] [Bai, Yurong]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China
  • [ 6 ] [Li, Yonghong]School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an; Shaanxi; 710049, China

Reprint Author's Address:

  • C. He;;School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an, 710049, China;;email: hechaohui@xjtu.edu.cn;;

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Source :

Computational Materials Science

ISSN: 0927-0256

Year: 2021

Volume: 202

3 . 3 0 0

JCR@2020

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:36

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count: 5

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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