Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation
Abstract
:1. Introduction
2. Methodology
2.1. Simulation of Ion Implantation
2.2. Simulation of Tensile Deformation
2.3. Interatomic Potentials
2.4. Analysis Method
3. Results and Discussion
3.1. Single Ion Damage Effects
3.2. High-Doses Ion Irradiation Effects
3.3. Tensile Deformation of Irradiated GaAs NWs
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
- Yang, P.D.; Yan, R.X.; Fardy, M. Semiconductor nanowire: What’s next? Nano Lett. 2010, 10, 1529–1536. [Google Scholar] [CrossRef] [PubMed]
- Gudiksen, M.S.; Lauhon, L.J.; Wang, J.; Smith, D.C.; Lieber, C.M. Growth of nanowire superlattice structures for nanoscale photonics and electronics. Nature 2002, 415, 617–620. [Google Scholar] [CrossRef] [PubMed]
- Joyce, H.J.; Gao, Q.; Tan, H.H.; Jagadish, C.; Kim, Y.; Zhang, X.; Guo, Y.; Zou, J. Twin-free uniform epitaxial GaAs nanowires grown by a two-temperature process. Nano Lett. 2007, 7, 921–926. [Google Scholar] [CrossRef] [PubMed]
- Liu, Z.L.; Yuan, X.M.; Wang, S.L.; Liu, S.; Tan, H.H.; Jagadish, C. Nanomechanical behavior of single taper-free GaAs nanowires unravelled by in-situ TEM mechanical testing and molecular dynamics simulation. Mat. Sci. Eng. A 2021, 806, 140866. [Google Scholar] [CrossRef]
- Wang, Y.B.; Wang, L.F.; Joyce, H.J.; Gao, Q.; Liao, X.Z.; Mai, Y.W.; Tan, H.H.; Zou, J.; Ringer, S.P.; Gao, H.J.; et al. Super Deformability and Young’s Modulus of GaAs Nanowires. Adv. Mater. 2011, 23, 1356–1360. [Google Scholar] [CrossRef]
- Chen, B.; Wang, J.; Gao, Q.; Chen, Y.; Liao, X.; Lu, C.; Tan, H.H.; Mai, Y.W.; Zou, J.; Ringer, S.P.; et al. Strengthening brittle semiconductor nanowires through stacking faults: Insights from in situ mechanical testing. Nano Lett. 2013, 13, 4369–4373. [Google Scholar] [CrossRef] [Green Version]
- Li, Y.; Qian, F.; Xiang, J.; Lieber, C.M. Nanowire electronic and optoelectronic devices. Mater. Today 2006, 9, 18–27. [Google Scholar] [CrossRef]
- Yuan, X.M.; Li, L.; Li, Z.Y.; Wang, F.; Wang, N.Y.; Fu, L.; He, J.; Tan, H.H.; Jagadish, C. Unexpected benefits of stacking faults on the electronic structure and optical emission in wurtzite GaAs/GaInP core/shell nanowires. Nanoscale 2019, 11, 9207–9215. [Google Scholar] [CrossRef]
- Aberg, I.; Vescovi, G.; Asoli, D.; Naseem, U.; Gilboy, J.P.; Sundvall, C.; Dahlgren, A.; Svensson, K.E.; Anttu, N.; Bjork, M.T.; et al. A GaAs nanowire array solar cell with 15.3% efficiency at 1 sun. IEEE J. Photovolt. 2016, 6, 185–190. [Google Scholar] [CrossRef]
- Gao, F.; Chen, N.J.; Hernandez-Rivera, E.; Huang, D.H.; Levan, P.D. Displacement damage and predicted non-ionizing energy loss in GaAs. J. Appl. Phys. 2017, 121, 095104. [Google Scholar] [CrossRef]
- Nordlund, K.; Ghaly, M.; Averback, R.S. Defect production in collision cascades in elemental semiconductors and fcc metals. Phys. Rev. B 1998, 57, 7556–7570. [Google Scholar] [CrossRef] [Green Version]
- Björkas, C.; Nordlund, K.; Arstila, K.; Keinonen, J. Damage production in GaAs and GaAsN induced by light and heavy ions. J. Appl. Phys. 2006, 100, 053516. [Google Scholar] [CrossRef]
- Johannes, A.; Noack, S.; Paschoal, S.; Kumar, S.; Jacobsson, D.; Pettersson, H.; Samuelson, L.; Dick, K.A.; Martinez-Criado, G.; Burghammer, M.; et al. Enhanced sputtering and incorporation of Mn in implanted GaAs and ZnO nanowires. J. Phys. D Appl. Phys. 2014, 47, 394003. [Google Scholar] [CrossRef] [Green Version]
- Li, F.J.; Li, Z.Y.; Tan, L.Y.; Zhou, Y.P.; Ma, J.; Lysevych, M.; Fu, L.; Tan, H.H.; Jagadish, C. Radiation effects on GaAs/AlGaAs core/shell ensemble nanowires and nanowire infrared photodetectors. Nanotechnology 2017, 28, 125702. [Google Scholar] [CrossRef]
- Li, F.J.; Xie, X.L.; Gao, Q.; Tan, L.Y.; Zhou, Y.P.; Yang, Q.B.; Ma, J.; Fu, L.; Tan, H.H.; Jagadish, C. Enhancement of radiation tolerance in GaAs/AlGaAs core–shell and InP nanowires. Nanotechnology 2018, 29, 225703. [Google Scholar] [CrossRef]
- Dai, S.; Zhao, J.; Xie, L.; Cai, Y.; Wang, N.; Zhu, J. Electron-Beam-Induced Elastic-Plastic Transition in Si Nanowires. Nano Lett. 2012, 12, 2379–2385. [Google Scholar] [CrossRef]
- Rodichkina, S.P.; Lysenko, V.; Belarouci, A.; Bezverkhyy, I.; Chassagnon, R.; Isaiev, M.; Nychyporuk, T.; Timoshenko, V.Y. Photo-induced cubic-to-hexagonal polytype transition in silicon nanowires. CrystEngComm 2019, 21, 4747–4752. [Google Scholar] [CrossRef]
- Alekseev, P.A.; Dunaevskiy, M.S.; Kirilenko, D.A.; Smirnov, A.N.; Davydov, V.Y.; Berkovits, V.L. Observing visible-range photoluminescence in GaAs nanowires modified by laser irradiation. J. Appl. Phys. 2017, 121, 074302. [Google Scholar] [CrossRef] [Green Version]
- Borschel, C.; Niepelt, R.; Geburt, S.; Gutsche, C.; Regolin, I.; Prost, W.; Tegude, F.J.; Stichtenoth, D.; Schwen, D.; Ronning, C. Alignment of Semiconductor Nanowires Using Ion Beams. Small 2009, 22, 2576–2580. [Google Scholar] [CrossRef]
- Vizoso, D.; Kosmidou, M.; Balk, T.J.; Hattar, K.; Deo, C.; Dingreville, R. Size-dependent radiation damage mechanisms in nanowires and nanoporous structures. Acta Mater. 2021, 215, 117018. [Google Scholar] [CrossRef]
- Briot, N.; Kosmidou, M.; Dingreville, R.; Hattar, K.; Balk, T.J. In situ TEM investigation of self-ion irradiation of nanoporous gold. J. Mater. Sci. 2019, 54, 7271–7287. [Google Scholar] [CrossRef]
- Jia, T.X.; Wang, Z.J.; Xue, Y.Y. The influence of temperature and energy on defect evolution and clustering during cascade in GaAs. Instr. Meth. Phys. Res. B 2021, 502, 198–204. [Google Scholar] [CrossRef]
- Jia, T.X.; Wang, Z.J.; Xue, Y.Y. Numerical simulation of the primary displacement damage in GaAs1-xNx with low nitrogen atomic content. Comp. Mater. Sci. 2021, 200, 110765. [Google Scholar] [CrossRef]
- Nordlund, K.; Peltola, J.; Nord, J.; Keinonen, J.; Averback, R.S. Defect clustering during ion irradiation of GaAs: Insight from molecular dynamics simulations. J. Appl. Phys. 2001, 90, 1710–1717. [Google Scholar] [CrossRef] [Green Version]
- Chen, N.J.; Rasch, E.; Huang, D. Atomic-Scale Simulation for Pseudometallic Defect-Generation Kinetics and Effective NIEL in GaN. IEEE Trans. Nucl. Sci. 2018, 65, 1108–1118. [Google Scholar] [CrossRef]
- Bringa, E.; Monk, J.; Caro, A.; Misra, A.; Zepeda-Ruiz, L.; Duchaineau, M.; Abraham, F.; Nasasi, M.; Picraux, S.; Wang, Y.; et al. Are nanoporous materials radiation resistant? Nano Lett. 2011, 12, 3351–3355. [Google Scholar] [CrossRef]
- Fu, E.; Caro, M.; Zepeda-Ruiz, L.; Wang, Y.; Baldwin, J.; Bringa, E.; Nasasi, M.; Caro, A. Surface effects on the radiation response of nanoporous Au foams. Appl. Phys. Lett. 2012, 101, 191607. [Google Scholar] [CrossRef] [Green Version]
- Thompson, A.P.; Aktulga, H.M.; Berger, R.; Bolintineanu, D.S.; Michael-Brown, W.; Crozier, P.S.; in’t Veld, P.J.; Kohlmeyer, A.; Moore, S.T.; Nguyen, T.D.; et al. LAMMPS-A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm. 2022, 271, 108171. [Google Scholar] [CrossRef]
- Sköld, N.; Wagner, J.B.; Karlsson, G.; Hernan, T.; Seifert, W.; Pistol, M. Phase segregation in AlInP shells on GaAs nanowires. Nano Lett. 2006, 6, 27437. [Google Scholar] [CrossRef]
- Wang, J.; Lu, C.S.; Wang, Q.; Xiao, P.; Ke, F.J.; Bai, Y.L.; Shen, Y.G.; Wang, Y.B.; Chen, B.; Liao, X.Z.; et al. Self-healing in fractured GaAs nanowires. Acta Mater. 2012, 60, 5593–5600. [Google Scholar] [CrossRef] [Green Version]
- Wang, J.; Shen, Y.G.; Song, F.; Ke, F.J.; Bai, Y.L.; Lu, C.S. Size-dependent brittle-to-ductile transition in GaAs nano-rods. Eng. Fract. Mech. 2015, 150, 135–142. [Google Scholar] [CrossRef] [Green Version]
- He, W.Z.; Chen, C.Q.; Xu, Z.P. Molecular dynamics simulations of silicon carbide nanowires under single-ion irradiation. J. Appl. Phys. 2019, 126, 125902. [Google Scholar] [CrossRef]
- Tsai, D.H. The virial theorem and stress calculation in molecular dynamics. J. Chem. Phys. 1979, 3, 1375–1382. [Google Scholar] [CrossRef]
- Tersoff, J. Modeling solid-state chemistry: Interatomic potentials for mnlticomponent systems. Phys. Rev. B 1989, 39, 5566. [Google Scholar] [CrossRef]
- Ziegler, J.F.; Biersack, J.P.; Littmark, U. The Stopping and Range of Ions in Matter; Pergamon: New York, NY, USA, 1985. [Google Scholar]
- Albe, K.; Nordlund, K.; Nord, J.; Kuronen, A. Modeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs. Phys. Rev. B 2002, 66, 035205. [Google Scholar] [CrossRef] [Green Version]
- Su, X.; Kalia, R.K.; Nakano, A.; Vashishta, P.; Madhukar, A. InAs/GaAs square nanomesas: Multimillion-atom molecular dynamics simulations on parallel computers. J. Appl. Phys. 2003, 94, 676273. [Google Scholar] [CrossRef] [Green Version]
- Alexander, S. Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool, Model. Simul. Mater. Sci. Eng. 2010, 18, 015012. [Google Scholar]
- Ren, W.; Kuronen, A.; Nordlund, K. Molecular dynamics of irradiation-induced defect production in GaN nanowires. Phys. Rev. B 2012, 86, 104114. [Google Scholar] [CrossRef] [Green Version]
- Xiao, Y.J.; Fang, F.Z.; Xu, Z.W.; Hu, X.T. Annealing recovery of nanoscale silicon surface damage caused by Ga focused ion beam. Appl. Surf. Sci. 2015, 343, 56–69. [Google Scholar] [CrossRef]
- Escaño, M.C.; Nguyen, T.Q. Does GaAs bulk lattice really expand due to defects in the low concentration regime? Solid. State Commun. 2020, 316–317, 113918. [Google Scholar] [CrossRef]
- Chung, J.S.; Thorpe, M.F. Local atomic structure of semiconductor alloys using pair distribution functions. Phys. Rev. B 1997, 55, 1545–1553. [Google Scholar] [CrossRef]
- Wu, J.T.; Xu, Z.W.; Liu, L.; Hartmaier, A.; Rommel, M.; Nordlund, K.; Wang, T.; Janisch, R.; Zhao, J.L. MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing. J. Mater. Chem. C 2021, 9, 2258–2275. [Google Scholar] [CrossRef]
- Krasheninnikov, A.V.; Nordlund, K. Ion and electron irradiation-induced effects in nanostructured materials. J. Appl. Phys. 2010, 107, 071301. [Google Scholar] [CrossRef]
- Xie, S.F.; Chen, S.D.; Su, A.J. The Effect of Atomic Vacancies and Grain Boundaries on Mechanical Properties of GaN Nanowires. Chin. Phys. Lett. 2011, 28, 066201. [Google Scholar] [CrossRef]
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Jia, T.; Wang, Z.; Tang, M.; Xue, Y.; Huang, G.; Nie, X.; Lai, S.; Ma, W.; He, B.; Gou, S. Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation. Nanomaterials 2022, 12, 611. https://doi.org/10.3390/nano12040611
Jia T, Wang Z, Tang M, Xue Y, Huang G, Nie X, Lai S, Ma W, He B, Gou S. Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation. Nanomaterials. 2022; 12(4):611. https://doi.org/10.3390/nano12040611
Chicago/Turabian StyleJia, Tongxuan, Zujun Wang, Minghua Tang, Yuanyuan Xue, Gang Huang, Xu Nie, Shankun Lai, Wuying Ma, Baoping He, and Shilong Gou. 2022. "Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation" Nanomaterials 12, no. 4: 611. https://doi.org/10.3390/nano12040611