Molecular Dynamics Simulation of Proton Irradiation Damage in GaN

HE Huan; HE Chaohui; LIAO Wenlong; ZHANG Jiahui; ZANG Hang; LIU Wenbo

doi:10.7538/yzk.2018.youxian.0535

Atomic Energy Science and Technology > 2019 > 53(6): 1117-1121. > DOI: 10.7538/yzk.2018.youxian.0535

HE Huan, HE Chaohui, LIAO Wenlong, ZHANG Jiahui, ZANG Hang, LIU Wenbo. Molecular Dynamics Simulation of Proton Irradiation Damage in GaN[J]. Atomic Energy Science and Technology, 2019, 53(6): 1117-1121. DOI: 10.7538/yzk.2018.youxian.0535

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Molecular Dynamics Simulation of Proton Irradiation Damage in GaN

School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049, China

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Abstract

The molecular dynamics method was used to study the damage of GaN irradiated by proton in this paper. By studying the cascade collision caused by primary knock-on atom (PKA) with different energy of 1-10 keV, the relationship between the point defect and the PKA energy, the evolution law of point defect with time, the spatial distribution of point defect and the point defect cluster size characteristic were analyzed. The result shows that the production of point defect is linear with the PKA energy, the evolutions of different types of point defects with time are similar, point defects are mostly produced along the PKA trajectory, and most of point defect clusters are isolated point defects and small clusters.
- molecular dynamics,
- GaN,
- point defect,
- irradiation damage

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[1]	PEARTON S. GaN and ZnO-based materials and devices[M]. Berlin Heidelberg: Springer, 2012: 251-289.
[2]	陈伟，郭晓强，姚志斌，等. 空间辐射效应地面模拟等效的关键基础问题[J]. 现代应用物理，2017，8(2)：1-12.CHEN Wei, GUO Xiaoqiang, YAO Zhibin, et al. Key basic issues in equivalent ground simulation of space radiation effects[J]. Modern Applied Physics, 2017, 8(2): 1-12(in Chinese).
[3]	ULLAH M W, KURONEN A, DJURABEKOVA F, et al. Defect clustering in irradiation of GaN by single and molecular ions[J]. Vacuum, 2014, 105: 88-90.
[4]	KARASEOV P A, KARABESHKIN K V, TITOV A I, et al. Single and molecular ion irradiation-induced effects in GaN: Experiment and cumulative MD simulations[J]. Journal of Physics D: Applied Physics, 2017, 50(50): 505110.
[5]	PLIMPTON S. Fast parallel algorithms for short-range molecular dynamics[J]. Journal of Computational Physics, 1995, 117(1): 1-19.
[6]	QIN H, LUAN X, FENG C, et al. Mechanical, thermodynamic and electronic properties of wurtzite and zinc-blende GaN crystals[J]. Materials, 2017, 10(12): 1419.
[7]	何博文，贺朝会，申帅帅，等. 质子在氮化镓中产生位移损伤的Geant4模拟[J]. 原子能科学技术，2017，51(3)：543-548.HE Bowen, HE Chaohui, SHEN Shuaishuai, et al. Geant4 simulation of proton displacement damage in GaN[J]. Atomic Energy Science and Technology, 2017, 51(3): 543-548(in Chinese).
[8]	NORD J, NORDLUND K, KEINONEN J. Molecular dynamics study of damage accumulation in GaN during ion beam irradiation[J]. Physical Review B, 2003, 68(18): 184104.
[9]	FARRELL D E, BERNSTEIN N, LIU W K. Thermal effects in 10 keV Si PKA cascades in 3C-SiC[J]. Journal of Nuclear Materials, 2009, 385(3): 572-581.
[10]	NORD J, ALBE K, ERHART P, et al. Modelling of compound semiconductors: Analytical bond-order potential for gallium, nitrogen and gallium nitride[J]. Journal of Physics Condensed Matter, 2003, 15(32): 5649-5662.
[11]	STUKOWSKI A. Visualization and analysis of atomistic simulation data with OVITO: The open visualization tool[J]. Modelling and Simulation in Materials Science and Engineering, 2010, 18(1): 015012.
[12]	NORGETT M J, ROBINSON M T, TORRENS I M. A proposed method of calculating displacement dose rates[J]. Nuclear Engineering and Design, 1975, 33(1): 50-54.
[13]	XIAO H Y, GAO F, ZU X T, et al. Threshold displacement energy in GaN: Ab initio molecular dynamics study[J]. Journal of Applied Physics, 2009, 105(12): 123527.
[14]	NORDLUND K, GHALY M, AVERBACK R S, et al. Defect production in collision cascades in elemental semiconductors and FCC metals[J]. Physical Review B, 1998, 57: 7556-7570.
[15]	XI J, ZHANG P, HE C, et al. Evolution of defects and defect clusters in β-SiC irradiated at high temperature[J]. Fusion Science and Technology, 2014, 66(1): 235-244.
[16]	NORDLUND K, PELTOLA J, NORD J, et al. Defect clustering during ion irradiation of GaAs: Insight from molecular dynamics simulations[J]. Journal of Applied Physics, 2001, 90(4): 1710-1717.
[17]	唐杜，贺朝会，臧航，等. 硅单粒子位移损伤多尺度模拟研究[J]. 物理学报，2016，65(8)：193-200.TANG Du, HE Chaohui, ZANG Hang, et al. Multiscale simulations of single particle displacement damage in silicon[J]. Acta Physica Sinica, 2016, 65(8): 193-200(in Chinese).
[18]	JAY A, RAINE M, RICHARD N, et al. Simulation of single particle displacement damage in silicon, Part Ⅱ: Generation and long-time relaxation of damage structure[J]. IEEE Transactions on Nuclear Science, 2017, 64: 141-148.
[19]	WAS G S. Fundamentals of radiation materials science: Metals and alloys[M]. Berlin Heidelberg: Springer, 2016: 131-146.

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